(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119703073

IUPAC(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(2,3)20-15(21)12-7-9-13(10-8-12)19-16(22)14-6-4-5-11-18-14;/h7-10,14,18H,4-6,11H2,1-3H3,(H,19,22)(H,20,21);1H/t14-;/m1./s1
InChIKeyJGYXFAFXHONNKC-PFEQFJNWSA-N
MW339.87 g/mol
LogP2.72
Rot. Bonds3

About (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119703073) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119703073
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(2,3)20-15(21)12-7-9-13(10-8-12)19-16(22)14-6-4-5-11-18-14;/h7-10,14,18H,4-6,11H2,1-3H3,(H,19,22)(H,20,21);1H/t14-;/m1./s1
InChIKeyJGYXFAFXHONNKC-PFEQFJNWSA-N
XLogP2.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 103808292
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119703073) is (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is JGYXFAFXHONNKC-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-17(2,3)20-15(21)12-7-9-13(10-8-12)19-16(22)14-6-4-5-11-18-14;/h7-10,14,18H,4-6,11H2,1-3H3,(H,19,22)(H,20,21);1H/t14-;/m1./s1.
What are the key properties of (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119703073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).