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

C24H28N4O2 — CID 71839639

IUPAC4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NCc4ccc(C)cc4)CC3)[nH]n2)c1
InChIInChI=1S/C24H28N4O2/c1-17-6-8-18(9-7-17)16-25-24(29)28-12-10-19(11-13-28)22-15-23(27-26-22)20-4-3-5-21(14-20)30-2/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyCKYYQPLMNRMVEO-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.48
Rot. Bonds5

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

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 71839639) 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-[(4-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID71839639
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)NCc4ccc(C)cc4)CC3)[nH]n2)c1
InChIInChI=1S/C24H28N4O2/c1-17-6-8-18(9-7-17)16-25-24(29)28-12-10-19(11-13-28)22-15-23(27-26-22)20-4-3-5-21(14-20)30-2/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyCKYYQPLMNRMVEO-UHFFFAOYSA-N
XLogP4.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 68517263
CID 68517263
CID 68563058
CID 68563058
CID 68564802
CID 68564802
CID 68566291
CID 68566291
CID 68568011
CID 68568011
CID 1486801
CID 1486801
CID 59173801
CID 59173801
CID 68521380
CID 68521380
CID 68560881
CID 68560881
CID 68561431
CID 68561431
CID 68563892
CID 68563892
CID 68564018
CID 68564018

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (CID 71839639) is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)NCc4ccc(C)cc4)CC3)[nH]n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is CKYYQPLMNRMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-6-8-18(9-7-17)16-25-24(29)28-12-10-19(11-13-28)22-15-23(27-26-22)20-4-3-5-21(14-20)30-2/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.48, 5 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-[(4-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71839639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).