N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride

C18H29ClN2O — CID 119323136

IUPACN-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)11-17(16-9-5-4-7-14(16)3)20-18(21)15-8-6-10-19-12-15;/h4-5,7,9,13,15,17,19H,6,8,10-12H2,1-3H3,(H,20,21);1H
InChIKeyJUYAPEXWEHBZAS-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.62
Rot. Bonds5

About N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride

N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119323136) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119323136
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)11-17(16-9-5-4-7-14(16)3)20-18(21)15-8-6-10-19-12-15;/h4-5,7,9,13,15,17,19H,6,8,10-12H2,1-3H3,(H,20,21);1H
InChIKeyJUYAPEXWEHBZAS-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride
CID 119332890
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 129393193
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
2-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119184887
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride (CID 119323136) is N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride is Cc1ccccc1C(CC(C)C)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JUYAPEXWEHBZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(2)11-17(16-9-5-4-7-14(16)3)20-18(21)15-8-6-10-19-12-15;/h4-5,7,9,13,15,17,19H,6,8,10-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride?
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119323136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).