[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C21H29N3O3 — CID 97192479

IUPAC[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCN1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H29N3O3/c1-22-15-18-5-3-2-4-17(18)14-19(22)21(26)23-8-6-16(7-9-23)20(25)24-10-12-27-13-11-24/h2-5,16,19H,6-15H2,1H3/t19-/m0/s1
InChIKeyHFFAFUPDVVINAN-IBGZPJMESA-N
MW371.48 g/mol
LogP1.14
Rot. Bonds2

About [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 97192479) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID97192479
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCN1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H29N3O3/c1-22-15-18-5-3-2-4-17(18)14-19(22)21(26)23-8-6-16(7-9-23)20(25)24-10-12-27-13-11-24/h2-5,16,19H,6-15H2,1H3/t19-/m0/s1
InChIKeyHFFAFUPDVVINAN-IBGZPJMESA-N
XLogP1.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

methyl 2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55411212
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
[2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
CID 78776864
[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 124752647
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 97269783
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
2-chloro-6-methoxy-N-[4-[1-(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171681200
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
[1-(2,3-dimethylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490689
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
1'-[(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 51870884

Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 97192479) is [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HFFAFUPDVVINAN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O3/c1-22-15-18-5-3-2-4-17(18)14-19(22)21(26)23-8-6-16(7-9-23)20(25)24-10-12-27-13-11-24/h2-5,16,19H,6-15H2,1H3/t19-/m0/s1.
What are the key properties of [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 371.48 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97192479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).