2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

C16H24Cl2N2O — CID 120554098

IUPAC2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C(C)(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11-10-18-8-7-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12;/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H,19,20);1H
InChIKeyYZKNJVUDVOHVFG-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.15
Rot. Bonds3

About 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120554098) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120554098
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C(C)(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11-10-18-8-7-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12;/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H,19,20);1H
InChIKeyYZKNJVUDVOHVFG-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 110464819
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554452
3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
CID 169209441
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120556705
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
2-methyl-2-phenyl-N-pyrrolidin-3-ylpropanamide
CID 43603539
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120554098) is 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CNCCC1NC(=O)C(C)(C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is YZKNJVUDVOHVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-11-10-18-8-7-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12;/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120554098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).