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

C16H23ClN2O — CID 740080

IUPACN-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-6-4-3-5-14(15)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyMHSVFLHMGULLSY-CHWSQXEVSA-N
MW294.83 g/mol
LogP3.65
Rot. Bonds4

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

N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 740080) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID740080
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-6-4-3-5-14(15)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyMHSVFLHMGULLSY-CHWSQXEVSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;oxalic acid
CID 171154563
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide (CID 740080) is N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide is C[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is MHSVFLHMGULLSY-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-6-4-3-5-14(15)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 740080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).