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

C16H23ClN2O — CID 98319058

IUPAC(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O/c1-11-8-12(2)10-19(9-11)13(3)16(20)18-15-6-4-14(17)5-7-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,20)/t11-,12+,13-/m1/s1
InChIKeySGGPQDFATTWKIN-FRRDWIJNSA-N
MW294.83 g/mol
LogP3.64
Rot. Bonds3

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

(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 98319058) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID98319058
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O/c1-11-8-12(2)10-19(9-11)13(3)16(20)18-15-6-4-14(17)5-7-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,20)/t11-,12+,13-/m1/s1
InChIKeySGGPQDFATTWKIN-FRRDWIJNSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430854
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide (CID 98319058) is (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide is C[C@@H]1C[C@H](C)CN([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is SGGPQDFATTWKIN-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-8-12(2)10-19(9-11)13(3)16(20)18-15-6-4-14(17)5-7-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,20)/t11-,12+,13-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 98319058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).