N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide

C22H26N2O2 — CID 17409720

IUPACN-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
SMILESCC(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(18-8-4-2-5-9-18)16-21(25)24-14-12-19(13-15-24)22(26)23-20-10-6-3-7-11-20/h2-11,17,19H,12-16H2,1H3,(H,23,26)
InChIKeyLCDDECKIFDCDFI-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.06
Rot. Bonds5

About N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide

N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide (PubChem CID 17409720) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
PubChem CID17409720
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
SMILESCC(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-17(18-8-4-2-5-9-18)16-21(25)24-14-12-19(13-15-24)22(26)23-20-10-6-3-7-11-20/h2-11,17,19H,12-16H2,1H3,(H,23,26)
InChIKeyLCDDECKIFDCDFI-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 47015830
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
N-methyl-1-[2-(2-phenylpropylsulfanyl)acetyl]piperidine-4-carboxamide
CID 84597545
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide (CID 17409720) is N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide is CC(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide?
The InChIKey is LCDDECKIFDCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17(18-8-4-2-5-9-18)16-21(25)24-14-12-19(13-15-24)22(26)23-20-10-6-3-7-11-20/h2-11,17,19H,12-16H2,1H3,(H,23,26).
What are the key properties of N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide?
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17409720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).