4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide

C24H26N4O3 — CID 53156071

IUPAC4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4C)n[nH]3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-16-5-3-4-6-20(16)21-15-22(27-26-21)24(30)28-13-11-18(12-14-28)25-23(29)17-7-9-19(31-2)10-8-17/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyXHAGSULXVOCQSP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.43
Rot. Bonds5

About 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide

4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide (PubChem CID 53156071) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide
PubChem CID53156071
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4C)n[nH]3)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-16-5-3-4-6-20(16)21-15-22(27-26-21)24(30)28-13-11-18(12-14-28)25-23(29)17-7-9-19(31-2)10-8-17/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyXHAGSULXVOCQSP-UHFFFAOYSA-N
XLogP3.43
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
4-methoxy-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218707
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928
N-[1-(6-methoxy-2-methylquinoline-3-carbonyl)piperidin-4-yl]benzamide
CID 34424258
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide (CID 53156071) is 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccccc4C)n[nH]3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is XHAGSULXVOCQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-5-3-4-6-20(16)21-15-22(27-26-21)24(30)28-13-11-18(12-14-28)25-23(29)17-7-9-19(31-2)10-8-17/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 53156071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).