1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone

C20H30N2O — CID 108993605

IUPAC1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
SMILESO=C(CNC1CCCCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O/c23-20(16-21-19-9-5-2-6-10-19)22-13-11-18(12-14-22)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2
InChIKeyZGCUFOPXSGCIOF-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.39
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone

1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone (PubChem CID 108993605) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
PubChem CID108993605
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
SMILESO=C(CNC1CCCCC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O/c23-20(16-21-19-9-5-2-6-10-19)22-13-11-18(12-14-22)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2
InChIKeyZGCUFOPXSGCIOF-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
1-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-cyclohexyl-1-propan-2-ylurea
CID 42698802
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone (CID 108993605) is 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone is O=C(CNC1CCCCC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone?
The InChIKey is ZGCUFOPXSGCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(16-21-19-9-5-2-6-10-19)22-13-11-18(12-14-22)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone has a molecular weight of 314.47 g/mol, XLogP of 3.39, 5 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)-2-(cyclohexylamino)ethanone is sourced from PubChem (CID 108993605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).