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

C25H30N4O2 — CID 24790114

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C)c4C)C3)cc2)c1
InChIInChI=1S/C25H30N4O2/c1-18-22(15-26-28(18)2)17-29-13-5-7-21(16-29)25(30)27-23-11-9-19(10-12-23)20-6-4-8-24(14-20)31-3/h4,6,8-12,14-15,21H,5,7,13,16-17H2,1-3H3,(H,27,30)
InChIKeyWXBVOUWKWNJERR-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.25
Rot. Bonds6

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

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 24790114) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
PubChem CID24790114
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C)c4C)C3)cc2)c1
InChIInChI=1S/C25H30N4O2/c1-18-22(15-26-28(18)2)17-29-13-5-7-21(16-29)25(30)27-23-11-9-19(10-12-23)20-6-4-8-24(14-20)31-3/h4,6,8-12,14-15,21H,5,7,13,16-17H2,1-3H3,(H,27,30)
InChIKeyWXBVOUWKWNJERR-UHFFFAOYSA-N
XLogP4.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide (CID 24790114) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C)c4C)C3)cc2)c1.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is WXBVOUWKWNJERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-22(15-26-28(18)2)17-29-13-5-7-21(16-29)25(30)27-23-11-9-19(10-12-23)20-6-4-8-24(14-20)31-3/h4,6,8-12,14-15,21H,5,7,13,16-17H2,1-3H3,(H,27,30).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).