2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide

C17H25ClN2O — CID 94119841

IUPAC2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
SMILESC[C@H]1CCCN(CCCNC(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O/c1-14-6-4-10-20(13-14)11-5-9-19-17(21)12-15-7-2-3-8-16(15)18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyRPDAYYMXQPAVOI-AWEZNQCLSA-N
MW308.85 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide

2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 94119841) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
PubChem CID94119841
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
SMILESC[C@H]1CCCN(CCCNC(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O/c1-14-6-4-10-20(13-14)11-5-9-19-17(21)12-15-7-2-3-8-16(15)18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyRPDAYYMXQPAVOI-AWEZNQCLSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 100727602
1-[(2-chlorophenyl)methyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111173967
2-chloro-N-[3-[4-(3-methylpiperidin-1-yl)butylamino]-3-oxo-1-phenylpropyl]benzamide
CID 60516198
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 110911703
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide (CID 94119841) is 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide is C[C@H]1CCCN(CCCNC(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is RPDAYYMXQPAVOI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-14-6-4-10-20(13-14)11-5-9-19-17(21)12-15-7-2-3-8-16(15)18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide?
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 308.85 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 94119841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).