(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide

C25H37N3O3 — CID 95195230

IUPAC(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C25H37N3O3/c29-23-10-9-21(19-28(23)14-13-27-15-17-31-18-16-27)24(30)26-20-25(11-5-2-6-12-25)22-7-3-1-4-8-22/h1,3-4,7-8,21H,2,5-6,9-20H2,(H,26,30)/t21-/m0/s1
InChIKeyYOYDBZJSKWNDKP-NRFANRHFSA-N
MW427.59 g/mol
LogP2.58
Rot. Bonds7

About (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide

(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide (PubChem CID 95195230) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
PubChem CID95195230
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC Name(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C25H37N3O3/c29-23-10-9-21(19-28(23)14-13-27-15-17-31-18-16-27)24(30)26-20-25(11-5-2-6-12-25)22-7-3-1-4-8-22/h1,3-4,7-8,21H,2,5-6,9-20H2,(H,26,30)/t21-/m0/s1
InChIKeyYOYDBZJSKWNDKP-NRFANRHFSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(2-methoxyethyl)-6-oxo-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 26316413
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56718926
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 29087489
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(3R)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 30853089
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide
CID 110160086

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide (CID 95195230) is (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide is O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide?
The InChIKey is YOYDBZJSKWNDKP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H37N3O3/c29-23-10-9-21(19-28(23)14-13-27-15-17-31-18-16-27)24(30)26-20-25(11-5-2-6-12-25)22-7-3-1-4-8-22/h1,3-4,7-8,21H,2,5-6,9-20H2,(H,26,30)/t21-/m0/s1.
What are the key properties of (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95195230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).