N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide

C25H32N2O2 — CID 113118967

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-20(24-11-7-4-8-12-24)27(21(2)28)18-15-25(29)26-16-13-23(14-17-26)19-22-9-5-3-6-10-22/h3-12,20,23H,13-19H2,1-2H3
InChIKeyKOHNDGQFUCPGPD-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.47
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide (PubChem CID 113118967) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
PubChem CID113118967
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-20(24-11-7-4-8-12-24)27(21(2)28)18-15-25(29)26-16-13-23(14-17-26)19-22-9-5-3-6-10-22/h3-12,20,23H,13-19H2,1-2H3
InChIKeyKOHNDGQFUCPGPD-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-fluoro-N-(1-phenylethyl)benzamide
CID 42703161
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118911
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
CID 113116586
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-cyclohexyl-1-propan-2-ylurea
CID 42698802
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118954
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118944
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)acetamide
CID 113124191
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120225

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide (CID 113118967) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide is CC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C(C)c1ccccc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
The InChIKey is KOHNDGQFUCPGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20(24-11-7-4-8-12-24)27(21(2)28)18-15-25(29)26-16-13-23(14-17-26)19-22-9-5-3-6-10-22/h3-12,20,23H,13-19H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide has a molecular weight of 392.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113118967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).