N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide

C24H30N2O2 — CID 108503370

IUPACN-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-19(2)26(18-22-11-7-4-8-12-22)24(28)23(27)25-15-13-21(14-16-25)17-20-9-5-3-6-10-20/h3-12,19,21H,13-18H2,1-2H3
InChIKeyPYKDDIAHSWXTPA-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.90
Rot. Bonds5

About N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide

N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 108503370) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID108503370
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-19(2)26(18-22-11-7-4-8-12-22)24(28)23(27)25-15-13-21(14-16-25)17-20-9-5-3-6-10-20/h3-12,19,21H,13-18H2,1-2H3
InChIKeyPYKDDIAHSWXTPA-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.90
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

2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
CID 108503636
N-benzyl-2-oxo-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503615
N-benzyl-2-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 66751325
(2S,3S)-2-[benzyl(ethyl)amino]-1-(4-benzylpiperidin-1-yl)-3-phenylbutan-1-one
CID 142240180
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 108503569
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
2-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-oxoacetamide
CID 108507032
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
2-(4-benzylpiperidin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108506967
N-benzyl-3-(4-benzylpiperidin-1-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108962285

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide (CID 108503370) is N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is PYKDDIAHSWXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19(2)26(18-22-11-7-4-8-12-22)24(28)23(27)25-15-13-21(14-16-25)17-20-9-5-3-6-10-20/h3-12,19,21H,13-18H2,1-2H3.
What are the key properties of N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide?
N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 108503370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).