3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide

C17H25ClN2O — CID 169209441

IUPAC3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-12-11-19-9-8-15(12)20-16(21)17(2,3)10-13-4-6-14(18)7-5-13/h4-7,12,15,19H,8-11H2,1-3H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyKKVGBNFJDCGUKO-WFASDCNBSA-N
MW308.85 g/mol
LogP3.02
Rot. Bonds4

About 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide

3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide (PubChem CID 169209441) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
PubChem CID169209441
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-12-11-19-9-8-15(12)20-16(21)17(2,3)10-13-4-6-14(18)7-5-13/h4-7,12,15,19H,8-11H2,1-3H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyKKVGBNFJDCGUKO-WFASDCNBSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554452
2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554098
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
2,2-dimethyl-N-(4-methylpiperidin-3-yl)butanamide
CID 63329342
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556880
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide (CID 169209441) is 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide is C[C@H]1CNCC[C@@H]1NC(=O)C(C)(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The InChIKey is KKVGBNFJDCGUKO-WFASDCNBSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12-11-19-9-8-15(12)20-16(21)17(2,3)10-13-4-6-14(18)7-5-13/h4-7,12,15,19H,8-11H2,1-3H3,(H,20,21)/t12-,15-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide has a molecular weight of 308.85 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide is sourced from PubChem (CID 169209441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).