(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide

C15H21ClN2O — CID 9275425

IUPAC(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-11-6-5-9-18(10-11)12(2)15(19)17-14-8-4-3-7-13(14)16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyMGMYPDVYGLWRAC-NEPJUHHUSA-N
MW280.80 g/mol
LogP3.40
Rot. Bonds3

About (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275425) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275425
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-11-6-5-9-18(10-11)12(2)15(19)17-14-8-4-3-7-13(14)16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyMGMYPDVYGLWRAC-NEPJUHHUSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 100857802
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide (CID 9275425) is (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide is C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is MGMYPDVYGLWRAC-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-6-5-9-18(10-11)12(2)15(19)17-14-8-4-3-7-13(14)16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 280.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).