N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

C21H25N3O2 — CID 119303511

IUPACN-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(23-14-12-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-21(26)18-7-4-13-22-15-18/h1-3,5-6,8-11,18,22H,4,7,12-15H2,(H,23,25)(H,24,26)
InChIKeyTYWYRAPLKPFAHN-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.60
Rot. Bonds6

About N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 119303511) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID119303511
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(23-14-12-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-21(26)18-7-4-13-22-15-18/h1-3,5-6,8-11,18,22H,4,7,12-15H2,(H,23,25)(H,24,26)
InChIKeyTYWYRAPLKPFAHN-UHFFFAOYSA-N
XLogP2.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
4-hydroxy-N-[4-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119749178
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 119303511) is N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is TYWYRAPLKPFAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(23-14-12-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-21(26)18-7-4-13-22-15-18/h1-3,5-6,8-11,18,22H,4,7,12-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119303511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).