4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C24H28N4O2 — CID 71839635

IUPAC4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NCCc4ccccc4)CC3)[nH]n2)c1
InChIInChI=1S/C24H28N4O2/c1-30-21-9-5-8-20(16-21)23-17-22(26-27-23)19-11-14-28(15-12-19)24(29)25-13-10-18-6-3-2-4-7-18/h2-9,16-17,19H,10-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyCMNTYVNLZIRASI-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.22
Rot. Bonds6

About 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 71839635) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID71839635
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NCCc4ccccc4)CC3)[nH]n2)c1
InChIInChI=1S/C24H28N4O2/c1-30-21-9-5-8-20(16-21)23-17-22(26-27-23)19-11-14-28(15-12-19)24(29)25-13-10-18-6-3-2-4-7-18/h2-9,16-17,19H,10-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyCMNTYVNLZIRASI-UHFFFAOYSA-N
XLogP4.22
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 71839635) is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)NCCc4ccccc4)CC3)[nH]n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is CMNTYVNLZIRASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-21-9-5-8-20(16-21)23-17-22(26-27-23)19-11-14-28(15-12-19)24(29)25-13-10-18-6-3-2-4-7-18/h2-9,16-17,19H,10-15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71839635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).