1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one

C21H32N2O — CID 42695488

IUPAC1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
SMILESO=C(CCNC1CCCCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O/c24-21(11-14-22-20-9-5-2-6-10-20)23-15-12-19(13-16-23)17-18-7-3-1-4-8-18/h1,3-4,7-8,19-20,22H,2,5-6,9-17H2
InChIKeyLAJKPXOCUNLEKA-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.78
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one

1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one (PubChem CID 42695488) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
PubChem CID42695488
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
SMILESO=C(CCNC1CCCCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N2O/c24-21(11-14-22-20-9-5-2-6-10-20)23-15-12-19(13-16-23)17-18-7-3-1-4-8-18/h1,3-4,7-8,19-20,22H,2,5-6,9-17H2
InChIKeyLAJKPXOCUNLEKA-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
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-cyclohexylacetamide
CID 113116586
3-(cycloheptylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024411
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate
CID 109032522
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one (CID 42695488) is 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one is O=C(CCNC1CCCCC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one?
The InChIKey is LAJKPXOCUNLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c24-21(11-14-22-20-9-5-2-6-10-20)23-15-12-19(13-16-23)17-18-7-3-1-4-8-18/h1,3-4,7-8,19-20,22H,2,5-6,9-17H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one?
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one has a molecular weight of 328.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one is sourced from PubChem (CID 42695488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).