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

C17H25ClN2O — CID 9430806

IUPAC(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C17H25ClN2O/c1-11-8-12(2)10-20(9-11)14(4)17(21)19-16-7-5-6-15(18)13(16)3/h5-7,11-12,14H,8-10H2,1-4H3,(H,19,21)/t11-,12-,14+/m0/s1
InChIKeyFDNTUMYJKSMMMV-SGMGOOAPSA-N
MW308.85 g/mol
LogP3.95
Rot. Bonds3

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

(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 9430806) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID9430806
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C17H25ClN2O/c1-11-8-12(2)10-20(9-11)14(4)17(21)19-16-7-5-6-15(18)13(16)3/h5-7,11-12,14H,8-10H2,1-4H3,(H,19,21)/t11-,12-,14+/m0/s1
InChIKeyFDNTUMYJKSMMMV-SGMGOOAPSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
(2S)-N-(2-chloro-3-pyridinyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430826
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide (CID 9430806) is (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide is Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is FDNTUMYJKSMMMV-SGMGOOAPSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11-8-12(2)10-20(9-11)14(4)17(21)19-16-7-5-6-15(18)13(16)3/h5-7,11-12,14H,8-10H2,1-4H3,(H,19,21)/t11-,12-,14+/m0/s1.
What are the key properties of (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 308.85 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9430806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).