N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C16H20Cl2N2O — CID 43921942

IUPACN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-11(15(18)8-13)9-20-7-1-2-12(10-20)16(21)19-14-5-6-14/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,19,21)
InChIKeyQZQGFHOKNHJRIZ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.48
Rot. Bonds4

About N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921942) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43921942
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-11(15(18)8-13)9-20-7-1-2-12(10-20)16(21)19-14-5-6-14/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,19,21)
InChIKeyQZQGFHOKNHJRIZ-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-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 N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43921942) is N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QZQGFHOKNHJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-4-3-11(15(18)8-13)9-20-7-1-2-12(10-20)16(21)19-14-5-6-14/h3-4,8,12,14H,1-2,5-7,9-10H2,(H,19,21).
What are the key properties of N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).