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

C24H28N4O2 — CID 24817668

IUPACN-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C)c4)C3)cc2)c1
InChIInChI=1S/C24H28N4O2/c1-27-15-18(14-25-27)16-28-12-4-6-21(17-28)24(29)26-22-10-8-19(9-11-22)20-5-3-7-23(13-20)30-2/h3,5,7-11,13-15,21H,4,6,12,16-17H2,1-2H3,(H,26,29)
InChIKeyURCXIXFRWQEYRK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.95
Rot. Bonds6

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

N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24817668) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24817668
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C)c4)C3)cc2)c1
InChIInChI=1S/C24H28N4O2/c1-27-15-18(14-25-27)16-28-12-4-6-21(17-28)24(29)26-22-10-8-19(9-11-22)20-5-3-7-23(13-20)30-2/h3,5,7-11,13-15,21H,4,6,12,16-17H2,1-2H3,(H,26,29)
InChIKeyURCXIXFRWQEYRK-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-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24817668) is N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C)c4)C3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is URCXIXFRWQEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27-15-18(14-25-27)16-28-12-4-6-21(17-28)24(29)26-22-10-8-19(9-11-22)20-5-3-7-23(13-20)30-2/h3,5,7-11,13-15,21H,4,6,12,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-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-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).