N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

C21H27N3O — CID 119916886

IUPACN-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H27N3O/c22-12-13-23-21(25)20-7-4-14-24(16-20)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16,22H2,(H,23,25)
InChIKeyWPQBBRZJZVIAAE-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.64
Rot. Bonds6

About N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 119916886) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID119916886
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H27N3O/c22-12-13-23-21(25)20-7-4-14-24(16-20)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16,22H2,(H,23,25)
InChIKeyWPQBBRZJZVIAAE-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[2-(4-benzylpiperazin-1-yl)acetyl]piperidine-3-carboxamide
CID 119479808
1-[(4-chlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920628
N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
CID 120837363

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (CID 119916886) is N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WPQBBRZJZVIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-12-13-23-21(25)20-7-4-14-24(16-20)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16,22H2,(H,23,25).
What are the key properties of N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).