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

C37H47N9O4 — CID 158564314

IUPAC1'-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
SMILESCN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.CN1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C13H17N3O.C12H15N3O2.C12H15N3O/c1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;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/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyHRGZEYJUNYSJCB-UHFFFAOYSA-N
MW681.84 g/mol
LogP3.95
Rot. Bonds

About 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

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 (PubChem CID 158564314) has the molecular formula C37H47N9O4 and a molecular weight of 681.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-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
PubChem CID158564314
Molecular FormulaC37H47N9O4
Molecular Weight681.84 g/mol
Exact Mass681.38
IUPAC Name1'-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
SMILESCN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.CN1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C13H17N3O.C12H15N3O2.C12H15N3O/c1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;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/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16);2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyHRGZEYJUNYSJCB-UHFFFAOYSA-N
XLogP3.95
TPSA144.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.84
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

1-(4-(4,5-difluoroindoline-1-carbonyl)pyridin-2-yl)spiro[piperidine-4,4'-pyrido[2,3-d][1,3]-oxazin]-2'(1'H)-one
CID 49800798
(2R)-2-[[2-aminoethyl(benzyl)carbamoyl]amino]-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)undecan-4-yl]-3-phenylpropanamide
CID 177692267
(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide
CID 177692300
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-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 158072554
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
5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 160651797
3-[3-oxo-7-[5-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)pentyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162769911
tert-butyl N-[(2R)-1-[[(2R)-1-[[(2R)-4-methyl-1-[[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 169193121
(2R)-N-[(2R)-6-amino-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 169193131
N-[6-amino-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 170172219
N-[(2R)-6-amino-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 176827956

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC2(CC1)C(=O)Nc1ncccc12.CN1CCC2(CC1)CC(=O)Nc1ncccc12.CN1CCC2(CC1)OC(=O)Nc1ncccc12.
What is the InChIKey of 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?
The InChIKey is HRGZEYJUNYSJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.C12H15N3O2.C12H15N3O/c1-16-7-4-13(5-8-16)9-11(17)15-12-10(13)3-2-6-14-12;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/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,17);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[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?
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 has a molecular weight of 681.84 g/mol, XLogP of 3.95, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158564314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).