N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

C17H23ClN2O2 — CID 108942729

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCN(C(=O)CC(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-13-7-10-20(11-8-13)17(22)12-16(21)19-9-6-14-2-4-15(18)5-3-14/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyJBHBZIKYZVOIHU-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108942729) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108942729
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCN(C(=O)CC(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-13-7-10-20(11-8-13)17(22)12-16(21)19-9-6-14-2-4-15(18)5-3-14/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyJBHBZIKYZVOIHU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942007
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
N-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014322
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108965042

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (CID 108942729) is N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCN(C(=O)CC(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is JBHBZIKYZVOIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-13-7-10-20(11-8-13)17(22)12-16(21)19-9-6-14-2-4-15(18)5-3-14/h2-5,13H,6-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 322.84 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108942729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).