3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

C17H27ClN2O2 — CID 120553500

IUPAC3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(14-6-4-5-7-16(14)21-3)10-17(20)19-15-8-9-18-11-13(15)2;/h4-7,12-13,15,18H,8-11H2,1-3H3,(H,19,20);1H
InChIKeyWHEUMKIKPQJXMO-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.72
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120553500) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120553500
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCOc1ccccc1C(C)CC(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(14-6-4-5-7-16(14)21-3)10-17(20)19-15-8-9-18-11-13(15)2;/h4-7,12-13,15,18H,8-11H2,1-3H3,(H,19,20);1H
InChIKeyWHEUMKIKPQJXMO-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553755
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)butanamide
CID 119609890
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
(3S)-N-(3-hydroxy-3-methylcyclobutyl)-3-(2-methoxyphenyl)butanamide
CID 126422663

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120553500) is 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is COc1ccccc1C(C)CC(=O)NC1CCNCC1C.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is WHEUMKIKPQJXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(14-6-4-5-7-16(14)21-3)10-17(20)19-15-8-9-18-11-13(15)2;/h4-7,12-13,15,18H,8-11H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120553500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).