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

C26H32N4O2 — CID 24790359

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c(C)n1
InChIInChI=1S/C26H32N4O2/c1-4-30-18-23(19(2)28-30)17-29-13-11-20(12-14-29)26(31)27-24-9-5-7-21(15-24)22-8-6-10-25(16-22)32-3/h5-10,15-16,18,20H,4,11-14,17H2,1-3H3,(H,27,31)
InChIKeyDZXMYLSVWOZZLY-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.74
Rot. Bonds7

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

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 24790359) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
PubChem CID24790359
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c(C)n1
InChIInChI=1S/C26H32N4O2/c1-4-30-18-23(19(2)28-30)17-29-13-11-20(12-14-29)26(31)27-24-9-5-7-21(15-24)22-8-6-10-25(16-22)32-3/h5-10,15-16,18,20H,4,11-14,17H2,1-3H3,(H,27,31)
InChIKeyDZXMYLSVWOZZLY-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

N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-hydroxy-5-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195594
N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714379
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16190181
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790433
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791652
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (CID 24790359) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is DZXMYLSVWOZZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-30-18-23(19(2)28-30)17-29-13-11-20(12-14-29)26(31)27-24-9-5-7-21(15-24)22-8-6-10-25(16-22)32-3/h5-10,15-16,18,20H,4,11-14,17H2,1-3H3,(H,27,31).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[3-(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-3-methylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).