1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide

C14H17Cl2N3O2 — CID 1076221

IUPAC1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(7-12(11)16)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8H2,(H2,17,21)(H,18,20)
InChIKeyVRKOYSNAGCQKLE-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 1076221) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID1076221
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(7-12(11)16)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8H2,(H2,17,21)(H,18,20)
InChIKeyVRKOYSNAGCQKLE-UHFFFAOYSA-N
XLogP2.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 1076221) is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is VRKOYSNAGCQKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(7-12(11)16)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 1076221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).