1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide

C17H25ClN2O2 — CID 111487644

IUPAC1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(CC(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)19-17(22)13-6-8-20(9-7-13)11-16(21)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,21H,6-9,11H2,1-2H3,(H,19,22)
InChIKeyRDJJGBIFFUZIAJ-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 111487644) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID111487644
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(CC(O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)19-17(22)13-6-8-20(9-7-13)11-16(21)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,21H,6-9,11H2,1-2H3,(H,19,22)
InChIKeyRDJJGBIFFUZIAJ-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

Analyze 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide 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

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 95146791
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 111487644) is 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(CC(O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RDJJGBIFFUZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(2)19-17(22)13-6-8-20(9-7-13)11-16(21)14-4-3-5-15(18)10-14/h3-5,10,12-13,16,21H,6-9,11H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-(3-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-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 111487644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).