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

C23H34N2O2 — CID 113116586

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
SMILESCC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-19(26)25(22-10-6-3-7-11-22)17-14-23(27)24-15-12-21(13-16-24)18-20-8-4-2-5-9-20/h2,4-5,8-9,21-22H,3,6-7,10-18H2,1H3
InChIKeyWWCRUPSVYFBOJE-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.04
Rot. Bonds6

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

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide (PubChem CID 113116586) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
PubChem CID113116586
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide
SMILESCC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-19(26)25(22-10-6-3-7-11-22)17-14-23(27)24-15-12-21(13-16-24)18-20-8-4-2-5-9-20/h2,4-5,8-9,21-22H,3,6-7,10-18H2,1H3
InChIKeyWWCRUPSVYFBOJE-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-butylacetamide
CID 113115792
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 42700905
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118967
2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-oxoacetamide
CID 108503636
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide
CID 42700904
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026457
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-cyclohexyl-1-propan-2-ylurea
CID 42698802
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide (CID 113116586) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide is CC(=O)N(CCC(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide?
The InChIKey is WWCRUPSVYFBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-19(26)25(22-10-6-3-7-11-22)17-14-23(27)24-15-12-21(13-16-24)18-20-8-4-2-5-9-20/h2,4-5,8-9,21-22H,3,6-7,10-18H2,1H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexylacetamide has a molecular weight of 370.54 g/mol, XLogP of 4.04, 6 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-cyclohexylacetamide is sourced from PubChem (CID 113116586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).