N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide

C21H30N2O2 — CID 162658942

IUPACN-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(17-7-3-1-4-8-17)11-12-21(25)22-18-13-15-23(16-14-18)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,25)
InChIKeyGPOGKDPMRVQZKB-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.56
Rot. Bonds6

About N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide

N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide (PubChem CID 162658942) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide
PubChem CID162658942
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(17-7-3-1-4-8-17)11-12-21(25)22-18-13-15-23(16-14-18)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,25)
InChIKeyGPOGKDPMRVQZKB-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide (CID 162658942) is N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NC1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide?
The InChIKey is GPOGKDPMRVQZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(17-7-3-1-4-8-17)11-12-21(25)22-18-13-15-23(16-14-18)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,25).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide?
N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide has a molecular weight of 342.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 162658942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).