3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

C17H27ClN2O — CID 119460874

IUPAC3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCc1ccccc1C(C)CC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-6-3-4-8-16(13)14(2)10-17(20)19-12-15-7-5-9-18-11-15;/h3-4,6,8,14-15,18H,5,7,9-12H2,1-2H3,(H,19,20);1H
InChIKeyNYRQSJZTFNPFJF-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.03
Rot. Bonds5

About 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (PubChem CID 119460874) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
PubChem CID119460874
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCc1ccccc1C(C)CC(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-6-3-4-8-16(13)14(2)10-17(20)19-12-15-7-5-9-18-11-15;/h3-4,6,8,14-15,18H,5,7,9-12H2,1-2H3,(H,19,20);1H
InChIKeyNYRQSJZTFNPFJF-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
CID 120944761
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
CID 119461783
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (CID 119460874) is 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is Cc1ccccc1C(C)CC(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The InChIKey is NYRQSJZTFNPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13-6-3-4-8-16(13)14(2)10-17(20)19-12-15-7-5-9-18-11-15;/h3-4,6,8,14-15,18H,5,7,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119460874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).