N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride

C17H26Cl2N2O — CID 119332890

IUPACN-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(NC(=O)C1CCCNC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-12(2)10-16(13-5-7-15(18)8-6-13)20-17(21)14-4-3-9-19-11-14;/h5-8,12,14,16,19H,3-4,9-11H2,1-2H3,(H,20,21);1H
InChIKeyPAHRGHOMJNYWEQ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride

N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119332890) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119332890
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC NameN-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(NC(=O)C1CCCNC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-12(2)10-16(13-5-7-15(18)8-6-13)20-17(21)14-4-3-9-19-11-14;/h5-8,12,14,16,19H,3-4,9-11H2,1-2H3,(H,20,21);1H
InChIKeyPAHRGHOMJNYWEQ-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
CID 119323136
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
methyl 3-(4-tert-butylphenyl)-3-(piperidine-3-carbonylamino)propanoate
CID 119331976

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride (CID 119332890) is N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride is CC(C)CC(NC(=O)C1CCCNC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PAHRGHOMJNYWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-12(2)10-16(13-5-7-15(18)8-6-13)20-17(21)14-4-3-9-19-11-14;/h5-8,12,14,16,19H,3-4,9-11H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119332890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).