1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide

C17H25ClN2O2 — CID 49440645

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(CC(O)c2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O2/c1-2-9-19-17(22)13-6-5-10-20(11-13)12-16(21)14-7-3-4-8-15(14)18/h3-4,7-8,13,16,21H,2,5-6,9-12H2,1H3,(H,19,22)
InChIKeyJYIBNLBTOHKZCM-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide (PubChem CID 49440645) 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-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
PubChem CID49440645
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(CC(O)c2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O2/c1-2-9-19-17(22)13-6-5-10-20(11-13)12-16(21)14-7-3-4-8-15(14)18/h3-4,7-8,13,16,21H,2,5-6,9-12H2,1H3,(H,19,22)
InChIKeyJYIBNLBTOHKZCM-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
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-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 52538350
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916680
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide (CID 49440645) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(CC(O)c2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is JYIBNLBTOHKZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-9-19-17(22)13-6-5-10-20(11-13)12-16(21)14-7-3-4-8-15(14)18/h3-4,7-8,13,16,21H,2,5-6,9-12H2,1H3,(H,19,22).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 324.85 g/mol, XLogP of 2.61, 6 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-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49440645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).