2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

C17H26Cl2N2O — CID 120576369

IUPAC2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NC1CCCNC1C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-11(2)16(13-6-4-7-14(18)10-13)17(21)20-15-8-5-9-19-12(15)3;/h4,6-7,10-12,15-16,19H,5,8-9H2,1-3H3,(H,20,21);1H
InChIKeyYHEVUURAOLUHMC-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 120576369) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID120576369
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)C(C(=O)NC1CCCNC1C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-11(2)16(13-6-4-7-14(18)10-13)17(21)20-15-8-5-9-19-12(15)3;/h4,6-7,10-12,15-16,19H,5,8-9H2,1-3H3,(H,20,21);1H
InChIKeyYHEVUURAOLUHMC-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760
N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120577920
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
2-(3-fluorophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576605
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577629
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
2-ethoxy-N-(2-methylpiperidin-3-yl)-2-phenylacetamide
CID 120573497
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067843
5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 120574779

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (CID 120576369) is 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is CC(C)C(C(=O)NC1CCCNC1C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is YHEVUURAOLUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-11(2)16(13-6-4-7-14(18)10-13)17(21)20-15-8-5-9-19-12(15)3;/h4,6-7,10-12,15-16,19H,5,8-9H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120576369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).