(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide

C17H25ClN2O2 — CID 9430884

IUPAC(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)cc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-11-7-12(2)10-20(9-11)13(3)17(21)19-14-5-6-16(22-4)15(18)8-14/h5-6,8,11-13H,7,9-10H2,1-4H3,(H,19,21)/t11-,12-,13+/m1/s1
InChIKeyLQAAOEDUVWUNFC-UPJWGTAASA-N
MW324.85 g/mol
LogP3.65
Rot. Bonds4

About (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide

(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 9430884) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID9430884
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)cc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-11-7-12(2)10-20(9-11)13(3)17(21)19-14-5-6-16(22-4)15(18)8-14/h5-6,8,11-13H,7,9-10H2,1-4H3,(H,19,21)/t11-,12-,13+/m1/s1
InChIKeyLQAAOEDUVWUNFC-UPJWGTAASA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108501193
N-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 55436535
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
ethyl (3S)-1-[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444749
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 46571270
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide (CID 9430884) is (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide is COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is LQAAOEDUVWUNFC-UPJWGTAASA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-11-7-12(2)10-20(9-11)13(3)17(21)19-14-5-6-16(22-4)15(18)8-14/h5-6,8,11-13H,7,9-10H2,1-4H3,(H,19,21)/t11-,12-,13+/m1/s1.
What are the key properties of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 324.85 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9430884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).