1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide

C17H23ClN2O3 — CID 154739270

IUPAC1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1(O)CCCN(C(C)=O)C1
InChIInChI=1S/C17H23ClN2O3/c1-3-19(11-14-7-4-5-8-15(14)18)16(22)17(23)9-6-10-20(12-17)13(2)21/h4-5,7-8,23H,3,6,9-12H2,1-2H3
InChIKeyVUSQZTBDXGBFDF-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.06
Rot. Bonds4

About 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide

1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide (PubChem CID 154739270) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide
PubChem CID154739270
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Name1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1(O)CCCN(C(C)=O)C1
InChIInChI=1S/C17H23ClN2O3/c1-3-19(11-14-7-4-5-8-15(14)18)16(22)17(23)9-6-10-20(12-17)13(2)21/h4-5,7-8,23H,3,6,9-12H2,1-2H3
InChIKeyVUSQZTBDXGBFDF-UHFFFAOYSA-N
XLogP2.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-ethyl-3-hydroxy-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 154739173
1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide
CID 128985956
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
4-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-ethyloxane-4-carboxamide;hydrochloride
CID 120924213
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
CID 128985646
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
(3S)-1-acetyl-N-[(4-chloro-2,5-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485409

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide (CID 154739270) is 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide is CCN(Cc1ccccc1Cl)C(=O)C1(O)CCCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide?
The InChIKey is VUSQZTBDXGBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-3-19(11-14-7-4-5-8-15(14)18)16(22)17(23)9-6-10-20(12-17)13(2)21/h4-5,7-8,23H,3,6,9-12H2,1-2H3.
What are the key properties of 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide?
1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide has a molecular weight of 338.83 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 154739270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).