N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119310041

IUPACN-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)11-20-17(22)14-7-8-15(13(3)10-14)21-18(23)16-6-4-5-9-19-16;/h7-8,10,12,16,19H,4-6,9,11H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyZRLJUHSXDVASMW-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.88
Rot. Bonds5

About N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119310041) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119310041
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)11-20-17(22)14-7-8-15(13(3)10-14)21-18(23)16-6-4-5-9-19-16;/h7-8,10,12,16,19H,4-6,9,11H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyZRLJUHSXDVASMW-UHFFFAOYSA-N
XLogP2.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120628608
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 154915135
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
CID 119299818
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119310041) is N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZRLJUHSXDVASMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12(2)11-20-17(22)14-7-8-15(13(3)10-14)21-18(23)16-6-4-5-9-19-16;/h7-8,10,12,16,19H,4-6,9,11H2,1-3H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119310041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).