1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide

C17H25ClN2O2 — CID 110911100

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)19-17(22)13-7-9-20(10-8-13)11-16(21)14-5-3-4-6-15(14)18/h3-6,12-13,16,21H,7-11H2,1-2H3,(H,19,22)
InChIKeyIKWAWLZGDKORJC-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 110911100) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID110911100
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)19-17(22)13-7-9-20(10-8-13)11-16(21)14-5-3-4-6-15(14)18/h3-6,12-13,16,21H,7-11H2,1-2H3,(H,19,22)
InChIKeyIKWAWLZGDKORJC-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-[(2,6-dichlorophenyl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100621527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 110911100) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(CC(O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is IKWAWLZGDKORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(2)19-17(22)13-7-9-20(10-8-13)11-16(21)14-5-3-4-6-15(14)18/h3-6,12-13,16,21H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 324.85 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 110911100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).