N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

C23H30N2O — CID 621174

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3
InChIKeyQQOMYEQLWQJRKK-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.53
Rot. Bonds7

About N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 621174) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
PubChem CID621174
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3
InChIKeyQQOMYEQLWQJRKK-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 3345
CID 3345
CID 62156
CID 62156
CID 61996
CID 61996
CID 3326
CID 3326
CID 72075
CID 72075
CID 42884
CID 42884
CID 62281
CID 62281
CID 252141
CID 252141
CID 3041260
CID 3041260
CID 62300
CID 62300
CID 527015
CID 527015
CID 83932
CID 83932

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (CID 621174) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is QQOMYEQLWQJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 350.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 621174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).