N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C17H27ClN2O — CID 119280628

IUPACN-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2,3)14-9-7-13(8-10-14)12-19-16(20)15-6-4-5-11-18-15;/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,20);1H
InChIKeyFHPLVZUYOGAANU-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.16
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride

N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119280628) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119280628
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-17(2,3)14-9-7-13(8-10-14)12-19-16(20)15-6-4-5-11-18-15;/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,20);1H
InChIKeyFHPLVZUYOGAANU-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119280628) is N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is CC(C)(C)c1ccc(CNC(=O)C2CCCCN2)cc1.Cl.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is FHPLVZUYOGAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-17(2,3)14-9-7-13(8-10-14)12-19-16(20)15-6-4-5-11-18-15;/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119280628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).