N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide

C22H32N2O3 — CID 24790518

IUPACN-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CC1CCCCC1
InChIInChI=1S/C22H32N2O3/c25-14-13-23(15-18-7-3-1-4-8-18)22(27)20-11-12-21(26)24(17-20)16-19-9-5-2-6-10-19/h1,3-4,7-8,19-20,25H,2,5-6,9-17H2
InChIKeyNIZNOGZLVQZLJO-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.83
Rot. Bonds7

About N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide

N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24790518) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24790518
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CC1CCCCC1
InChIInChI=1S/C22H32N2O3/c25-14-13-23(15-18-7-3-1-4-8-18)22(27)20-11-12-21(26)24(17-20)16-19-9-5-2-6-10-19/h1,3-4,7-8,19-20,25H,2,5-6,9-17H2
InChIKeyNIZNOGZLVQZLJO-UHFFFAOYSA-N
XLogP2.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
Cambridge id 5260289
CID 2838041
1-(2-(1-Benzylpiperidin-4-yl)ethyl)piperidin-2-one
CID 10335000
N-benzyl-3-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-N-methylpropanamide
CID 24790742
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793871
N-benzyl-1-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24817028
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398
1-(cyclohexylmethyl)-N-(4-ethylbenzyl)-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24818972
6-Hydroxy-1-(2-phenylethyl)-4-(phenylmethyl)-2-piperazinone
CID 21599360
N-benzyl-N-(2-hydroxyethyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24794085
N-benzyl-1-(4-fluorobenzyl)-N-(2-hydroxyethyl)-4-piperidinecarboxamide
CID 1343462
Cambridge id 5261649
CID 2838113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (CID 24790518) is N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)N(CCO)Cc2ccccc2)CN1CC1CCCCC1.
What is the InChIKey of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is NIZNOGZLVQZLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-14-13-23(15-18-7-3-1-4-8-18)22(27)20-11-12-21(26)24(17-20)16-19-9-5-2-6-10-19/h1,3-4,7-8,19-20,25H,2,5-6,9-17H2.
What are the key properties of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).