1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C17H29N3O2 — CID 9443378

IUPAC1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1
InChIInChI=1S/C17H29N3O2/c18-17(22)14-7-10-19(11-8-14)12-16(21)20-9-3-5-13-4-1-2-6-15(13)20/h13-15H,1-12H2,(H2,18,22)/t13-,15-/m1/s1
InChIKeyWSCVSYDKWJMHHT-UKRRQHHQSA-N
MW307.44 g/mol
LogP1.36
Rot. Bonds3

About 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 9443378) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID9443378
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1
InChIInChI=1S/C17H29N3O2/c18-17(22)14-7-10-19(11-8-14)12-16(21)20-9-3-5-13-4-1-2-6-15(13)20/h13-15H,1-12H2,(H2,18,22)/t13-,15-/m1/s1
InChIKeyWSCVSYDKWJMHHT-UKRRQHHQSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 79327730
1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 124991852
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107225699
2-[4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30738249
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone
CID 60538233
2-[1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618915
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone
CID 119911959
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone
CID 95309041
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
CID 112841790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 9443378) is 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1.
What is the InChIKey of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is WSCVSYDKWJMHHT-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H29N3O2/c18-17(22)14-7-10-19(11-8-14)12-16(21)20-9-3-5-13-4-1-2-6-15(13)20/h13-15H,1-12H2,(H2,18,22)/t13-,15-/m1/s1.
What are the key properties of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 9443378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).