N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride

C13H18Cl2N2O — CID 74889868

IUPACN-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C13H17ClN2O.ClH/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyQDXMCZVDQKLONM-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.38
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 74889868) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID74889868
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C13H17ClN2O.ClH/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H
InChIKeyQDXMCZVDQKLONM-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 90046481
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 74889868) is N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QDXMCZVDQKLONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O.ClH/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H,16,17);1H.
What are the key properties of N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 74889868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).