(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride

C16H25ClN2O — CID 119399894

IUPAC(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1NC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(2,3)12-8-4-5-9-13(12)18-15(19)14-10-6-7-11-17-14;/h4-5,8-9,14,17H,6-7,10-11H2,1-3H3,(H,18,19);1H/t14-;/m1./s1
InChIKeyLUVZYYKMBGCFFP-PFEQFJNWSA-N
MW296.84 g/mol
LogP3.49
Rot. Bonds2

About (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride

(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119399894) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119399894
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1NC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(2,3)12-8-4-5-9-13(12)18-15(19)14-10-6-7-11-17-14;/h4-5,8-9,14,17H,6-7,10-11H2,1-3H3,(H,18,19);1H/t14-;/m1./s1
InChIKeyLUVZYYKMBGCFFP-PFEQFJNWSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-(2-sulfamoylphenyl)piperidine-2-carboxamide
CID 61130085
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride (CID 119399894) is (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride is CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is LUVZYYKMBGCFFP-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-16(2,3)12-8-4-5-9-13(12)18-15(19)14-10-6-7-11-17-14;/h4-5,8-9,14,17H,6-7,10-11H2,1-3H3,(H,18,19);1H/t14-;/m1./s1.
What are the key properties of (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride?
(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119399894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).