1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

C26H32N4O2 — CID 45223242

IUPAC1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C
InChIInChI=1S/C26H32N4O2/c1-4-30-19(2)22(17-27-30)18-29-14-12-20(13-15-29)26(31)28-25-11-6-5-10-24(25)21-8-7-9-23(16-21)32-3/h5-11,16-17,20H,4,12-15,18H2,1-3H3,(H,28,31)
InChIKeySBVQXZHRSCUUHE-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.74
Rot. Bonds7

About 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 45223242) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
PubChem CID45223242
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C
InChIInChI=1S/C26H32N4O2/c1-4-30-19(2)22(17-27-30)18-29-14-12-20(13-15-29)26(31)28-25-11-6-5-10-24(25)21-8-7-9-23(16-21)32-3/h5-11,16-17,20H,4,12-15,18H2,1-3H3,(H,28,31)
InChIKeySBVQXZHRSCUUHE-UHFFFAOYSA-N
XLogP4.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylpyrazol-3-yl)phenoxy]-N-(4-phenylphenyl)acetamide
CID 117671214
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-piperidinecarboxamide
CID 24816617
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
3-(2-methoxyphenyl)-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 24818848
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-3-biphenylyl)-4-piperidinecarboxamide
CID 24790359
1-(3-methoxybenzyl)-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817121

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (CID 45223242) is 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is CCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SBVQXZHRSCUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-30-19(2)22(17-27-30)18-29-14-12-20(13-15-29)26(31)28-25-11-6-5-10-24(25)21-8-7-9-23(16-21)32-3/h5-11,16-17,20H,4,12-15,18H2,1-3H3,(H,28,31).
What are the key properties of 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45223242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).