N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C24H27ClN4O — CID 24790275

IUPACN-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cnn1C
InChIInChI=1S/C24H27ClN4O/c1-17-21(15-26-28(17)2)16-29-11-9-18(10-12-29)24(30)27-23-8-4-6-20(14-23)19-5-3-7-22(25)13-19/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,27,30)
InChIKeyNRASGSNKFVBAOE-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.90
Rot. Bonds5

About N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24790275) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24790275
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC NameN-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cnn1C
InChIInChI=1S/C24H27ClN4O/c1-17-21(15-26-28(17)2)16-29-11-9-18(10-12-29)24(30)27-23-8-4-6-20(14-23)19-5-3-7-22(25)13-19/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,27,30)
InChIKeyNRASGSNKFVBAOE-UHFFFAOYSA-N
XLogP4.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24790275) is N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)cnn1C.
What is the InChIKey of N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is NRASGSNKFVBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-17-21(15-26-28(17)2)16-29-11-9-18(10-12-29)24(30)27-23-8-4-6-20(14-23)19-5-3-7-22(25)13-19/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-(3-chlorophenyl)phenyl]-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 4.90, 5 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-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).