1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide

C16H20Cl2N2O2 — CID 56814640

IUPAC1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-5-4-11(10-14(13)18)2-1-3-15(21)20-8-6-12(7-9-20)16(19)22/h4-5,10,12H,1-3,6-9H2,(H2,19,22)
InChIKeyIXSIVPXEMDSUSZ-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide

1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide (PubChem CID 56814640) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide
PubChem CID56814640
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-5-4-11(10-14(13)18)2-1-3-15(21)20-8-6-12(7-9-20)16(19)22/h4-5,10,12H,1-3,6-9H2,(H2,19,22)
InChIKeyIXSIVPXEMDSUSZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3,4-dichlorophenyl)butanoyl]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-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide (CID 56814640) is 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide?
The InChIKey is IXSIVPXEMDSUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-13-5-4-11(10-14(13)18)2-1-3-15(21)20-8-6-12(7-9-20)16(19)22/h4-5,10,12H,1-3,6-9H2,(H2,19,22).
What are the key properties of 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide?
1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 56814640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).