3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide

C22H32N2O2 — CID 91913388

IUPAC3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C22H32N2O2/c25-21(23-17-19-7-3-1-4-8-19)12-11-18-13-15-24(16-14-18)22(26)20-9-5-2-6-10-20/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2,(H,23,25)
InChIKeyNCERBYNBNCGFSZ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.02
Rot. Bonds6

About 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide

3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide (PubChem CID 91913388) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
PubChem CID91913388
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccccc2)CC1)NCC1CCCCC1
InChIInChI=1S/C22H32N2O2/c25-21(23-17-19-7-3-1-4-8-19)12-11-18-13-15-24(16-14-18)22(26)20-9-5-2-6-10-20/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2,(H,23,25)
InChIKeyNCERBYNBNCGFSZ-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-(4-benzoylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 9223532
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
tert-butyl N-[3-oxo-3-[[1-(4-phenylbenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919215
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
3-(1-benzoylpiperidin-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 91911239
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide (CID 91913388) is 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide is O=C(CCC1CCN(C(=O)c2ccccc2)CC1)NCC1CCCCC1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide?
The InChIKey is NCERBYNBNCGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(23-17-19-7-3-1-4-8-19)12-11-18-13-15-24(16-14-18)22(26)20-9-5-2-6-10-20/h2,5-6,9-10,18-19H,1,3-4,7-8,11-17H2,(H,23,25).
What are the key properties of 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide?
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide has a molecular weight of 356.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 91913388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).