3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide

C18H27ClN2O — CID 110301735

IUPAC3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C18H27ClN2O/c1-14(12-16-6-8-17(19)9-7-16)18(22)20-13-15(2)21-10-4-3-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22)
InChIKeyFXUKQKBOSYTSBH-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.51
Rot. Bonds6

About 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide

3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide (PubChem CID 110301735) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
PubChem CID110301735
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C18H27ClN2O/c1-14(12-16-6-8-17(19)9-7-16)18(22)20-13-15(2)21-10-4-3-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22)
InChIKeyFXUKQKBOSYTSBH-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461
3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 110302218
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
N-[2-(4-chlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 57374009
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
CID 109480246
3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
CID 110306300
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
CID 110618089

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide (CID 110301735) is 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide is CC(Cc1ccc(Cl)cc1)C(=O)NCC(C)N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide?
The InChIKey is FXUKQKBOSYTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14(12-16-6-8-17(19)9-7-16)18(22)20-13-15(2)21-10-4-3-5-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide?
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide has a molecular weight of 322.88 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 110301735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).