2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide

C21H30N2O2 — CID 108503636

IUPAC2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C21H30N2O2/c1-22(19-10-6-3-7-11-19)20(24)21(25)23-14-12-18(13-15-23)16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3
InChIKeyROPKUSMSPRFFMB-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide

2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide (PubChem CID 108503636) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
PubChem CID108503636
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C21H30N2O2/c1-22(19-10-6-3-7-11-19)20(24)21(25)23-14-12-18(13-15-23)16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3
InChIKeyROPKUSMSPRFFMB-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503370
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
2-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxoacetamide
CID 108507032
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108962285
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide (CID 108503636) is 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide is CN(C(=O)C(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide?
The InChIKey is ROPKUSMSPRFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-22(19-10-6-3-7-11-19)20(24)21(25)23-14-12-18(13-15-23)16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide?
2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide has a molecular weight of 342.48 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).