N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

C17H23ClN2O2 — CID 108946579

IUPACN-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-2-14-8-5-6-10-20(14)17(22)11-16(21)19-12-13-7-3-4-9-15(13)18/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,19,21)
InChIKeyNWKCUQHMXBWAQG-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide

N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108946579) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108946579
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-2-14-8-5-6-10-20(14)17(22)11-16(21)19-12-13-7-3-4-9-15(13)18/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,19,21)
InChIKeyNWKCUQHMXBWAQG-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 108998036
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108941432
1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
CID 109022144
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952277
[2-(2-chloroanilino)-2-oxoethyl]-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylazanium
CID 8842566
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006495
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide (CID 108946579) is N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is CCC1CCCCN1C(=O)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is NWKCUQHMXBWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-14-8-5-6-10-20(14)17(22)11-16(21)19-12-13-7-3-4-9-15(13)18/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide?
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 322.84 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108946579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).