3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide

C15H21ClN2O — CID 120574232

IUPAC3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11-14(3-2-10-17-11)18-15(19)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,11,14,17H,2-3,6,9-10H2,1H3,(H,18,19)
InChIKeyGBNVSYJFMHHYNZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.53
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120574232) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120574232
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11-14(3-2-10-17-11)18-15(19)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,11,14,17H,2-3,6,9-10H2,1H3,(H,18,19)
InChIKeyGBNVSYJFMHHYNZ-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514
2-(4-chlorophenyl)sulfonyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120576176
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120574232) is 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide is CC1NCCCC1NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is GBNVSYJFMHHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-14(3-2-10-17-11)18-15(19)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,11,14,17H,2-3,6,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 280.80 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120574232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).