(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

C23H33N3O2 — CID 42506910

IUPAC(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@@H]1c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-25-21(27)13-12-19(22(25)17-8-3-2-4-9-17)23(28)24-16-18-10-7-15-26-14-6-5-11-20(18)26/h2-4,8-9,18-20,22H,5-7,10-16H2,1H3,(H,24,28)/t18-,19-,20+,22-/m0/s1
InChIKeyCRTKFYNHSTYBSF-KEZQHZCBSA-N
MW383.54 g/mol
LogP2.98
Rot. Bonds4

About (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 42506910) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID42506910
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@@H]1c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-25-21(27)13-12-19(22(25)17-8-3-2-4-9-17)23(28)24-16-18-10-7-15-26-14-6-5-11-20(18)26/h2-4,8-9,18-20,22H,5-7,10-16H2,1H3,(H,24,28)/t18-,19-,20+,22-/m0/s1
InChIKeyCRTKFYNHSTYBSF-KEZQHZCBSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
CID 119364584
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 42506910) is (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is CRTKFYNHSTYBSF-KEZQHZCBSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-25-21(27)13-12-19(22(25)17-8-3-2-4-9-17)23(28)24-16-18-10-7-15-26-14-6-5-11-20(18)26/h2-4,8-9,18-20,22H,5-7,10-16H2,1H3,(H,24,28)/t18-,19-,20+,22-/m0/s1.
What are the key properties of (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42506910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).