N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C24H27ClN4O — CID 24817359

IUPACN-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cn1
InChIInChI=1S/C24H27ClN4O/c1-2-29-17-18(15-26-29)16-28-11-9-19(10-12-28)24(30)27-23-8-4-6-21(14-23)20-5-3-7-22(25)13-20/h3-8,13-15,17,19H,2,9-12,16H2,1H3,(H,27,30)
InChIKeyYTBFIFXLEWMMBR-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.07
Rot. Bonds6

About N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24817359) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24817359
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cn1
InChIInChI=1S/C24H27ClN4O/c1-2-29-17-18(15-26-29)16-28-11-9-19(10-12-28)24(30)27-23-8-4-6-21(14-23)20-5-3-7-22(25)13-20/h3-8,13-15,17,19H,2,9-12,16H2,1H3,(H,27,30)
InChIKeyYTBFIFXLEWMMBR-UHFFFAOYSA-N
XLogP5.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]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 N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24817359) is N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cn1.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YTBFIFXLEWMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-2-29-17-18(15-26-29)16-28-11-9-19(10-12-28)24(30)27-23-8-4-6-21(14-23)20-5-3-7-22(25)13-20/h3-8,13-15,17,19H,2,9-12,16H2,1H3,(H,27,30).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24817359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).