(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

C17H25ClN2O3 — CID 97027964

IUPAC(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C17H25ClN2O3/c1-2-11-23-16-7-6-13(18)12-15(16)19-17(22)20-9-4-3-5-14(20)8-10-21/h6-7,12,14,21H,2-5,8-11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyDNJXJOJBDLBTKR-AWEZNQCLSA-N
MW340.85 g/mol
LogP3.90
Rot. Bonds6

About (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 97027964) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID97027964
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C17H25ClN2O3/c1-2-11-23-16-7-6-13(18)12-15(16)19-17(22)20-9-4-3-5-14(20)8-10-21/h6-7,12,14,21H,2-5,8-11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyDNJXJOJBDLBTKR-AWEZNQCLSA-N
XLogP3.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-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

(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126794752
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
1-[(5-chloro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102124
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
N-(5-acetyl-2-ethoxyphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 72902474
N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 111102185
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 97027964) is (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1CCO.
What is the InChIKey of (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is DNJXJOJBDLBTKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-2-11-23-16-7-6-13(18)12-15(16)19-17(22)20-9-4-3-5-14(20)8-10-21/h6-7,12,14,21H,2-5,8-11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide?
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97027964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).