1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C77H97N15O8 — CID 159036436

IUPAC1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)Nc1ccccc12.CN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ccccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.CN1CCC2(CC1)OC(=O)Nc1ccccc12.CN1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C14H18N2O.C13H17N3O.C13H16N2O2.C13H16N2O.C12H15N3O2.C12H15N3O/c1-16-8-6-14(7-9-16)10-13(17)15-12-5-3-2-4-11(12)14;1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(13)16;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(16)17-12;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(12)16/h2-5H,6-10H2,1H3,(H,15,17);2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-5H,6-9H2,1H3,(H,14,16);2-5H,6-9H2,1H3,(H,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyJVMZUVROXCCUMH-UHFFFAOYSA-N
MW1360.72 g/mol
LogP9.71
Rot. Bonds

About 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 159036436) has the molecular formula C77H97N15O8 and a molecular weight of 1360.72 g/mol. Its IUPAC name is 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID159036436
Molecular FormulaC77H97N15O8
Molecular Weight1360.72 g/mol
Exact Mass1359.76
IUPAC Name1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)Nc1ccccc12.CN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ccccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.CN1CCC2(CC1)OC(=O)Nc1ccccc12.CN1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C14H18N2O.C13H17N3O.C13H16N2O2.C13H16N2O.C12H15N3O2.C12H15N3O/c1-16-8-6-14(7-9-16)10-13(17)15-12-5-3-2-4-11(12)14;1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(13)16;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(16)17-12;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(12)16/h2-5H,6-10H2,1H3,(H,15,17);2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-5H,6-9H2,1H3,(H,14,16);2-5H,6-9H2,1H3,(H,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyJVMZUVROXCCUMH-UHFFFAOYSA-N
XLogP9.71
TPSA251.17 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001360.72
LogP ≤ 59.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-1-oxo-3-phenyl-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxamide
CID 157683710
3-[2-amino-5-[(E)-2-carboxyethenyl]-3-pyridinyl]propanoic acid;3-[2-amino-5-[(E)-3-[methyl-[(1-methylindol-2-yl)methyl]amino]-3-oxoprop-1-enyl]-3-pyridinyl]-N-methyl-N-[(1-methylindol-2-yl)methyl]propanamide;tert-butyl (E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoate
CID 157589164
(2S)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-[(7-methyl-1H-isoindol-5-yl)methyl]-4-[4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidin-1-yl]butane-1,4-dione;(2S)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-[(7-methyl-1H-isoindol-5-yl)methyl]-4-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)butane-1,4-dione;(2S)-2-[(7-methyl-1H-isoindol-5-yl)methyl]-4-[4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidin-1-yl]-1-(8-piperidin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)butane-1,4-dione
CID 157622287
methane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 158058701
1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 158564314

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 159036436) is 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is CN1CCC2(CC1)C(=O)Nc1ccccc12.CN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ccccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.CN1CCC2(CC1)OC(=O)Nc1ccccc12.CN1CCC2(CC1)OC(=O)Nc1ncccc12.
What is the InChIKey of 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is JVMZUVROXCCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H17N3O.C13H16N2O2.C13H16N2O.C12H15N3O2.C12H15N3O/c1-16-8-6-14(7-9-16)10-13(17)15-12-5-3-2-4-11(12)14;1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(13)16;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(16)17-12;1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(12)16/h2-5H,6-10H2,1H3,(H,15,17);2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-5H,6-9H2,1H3,(H,14,16);2-5H,6-9H2,1H3,(H,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16).
What are the key properties of 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 1360.72 g/mol, XLogP of 9.71, 0 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1,3-dihydroquinoline-4,4'-piperidine]-2-one;1'-methylspiro[1H-indole-3,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 159036436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).