N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C24H28N4O2 — CID 24817849

IUPACN-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3CCN(Cc4cnn(C)c4)CC3)c2)c1
InChIInChI=1S/C24H28N4O2/c1-27-16-18(15-25-27)17-28-11-9-19(10-12-28)24(29)26-22-7-3-5-20(13-22)21-6-4-8-23(14-21)30-2/h3-8,13-16,19H,9-12,17H2,1-2H3,(H,26,29)
InChIKeyCGDDDHWBSMECAI-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.95
Rot. Bonds6

About N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24817849) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24817849
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3CCN(Cc4cnn(C)c4)CC3)c2)c1
InChIInChI=1S/C24H28N4O2/c1-27-16-18(15-25-27)17-28-11-9-19(10-12-28)24(29)26-22-7-3-5-20(13-22)21-6-4-8-23(14-21)30-2/h3-8,13-16,19H,9-12,17H2,1-2H3,(H,26,29)
InChIKeyCGDDDHWBSMECAI-UHFFFAOYSA-N
XLogP3.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24817849) is N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4cnn(C)c4)CC3)c2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CGDDDHWBSMECAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27-16-18(15-25-27)17-28-11-9-19(10-12-28)24(29)26-22-7-3-5-20(13-22)21-6-4-8-23(14-21)30-2/h3-8,13-16,19H,9-12,17H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24817849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).