N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride

C16H24Cl2N2O — CID 119289277

IUPACN-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-12(2)19(11-13-5-3-7-15(17)9-13)16(20)14-6-4-8-18-10-14;/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3;1H
InChIKeyRBBYKUTWWRHOPP-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.50
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride

N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119289277) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119289277
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-12(2)19(11-13-5-3-7-15(17)9-13)16(20)14-6-4-8-18-10-14;/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3;1H
InChIKeyRBBYKUTWWRHOPP-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119298606
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 81129457
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[(3-chlorophenyl)methyl]-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66426574
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 119289277) is N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride is CC(C)N(Cc1cccc(Cl)c1)C(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is RBBYKUTWWRHOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-12(2)19(11-13-5-3-7-15(17)9-13)16(20)14-6-4-8-18-10-14;/h3,5,7,9,12,14,18H,4,6,8,10-11H2,1-2H3;1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride?
N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119289277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).