4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C21H28N4O2 — CID 24817414

IUPAC4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-16(2)15-24-13-10-18(11-14-24)25-20(9-12-22-25)23-21(26)17-5-7-19(27-3)8-6-17/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,26)/b16-4+
InChIKeyVEDVFWXESWZMRY-AYSLTRBKSA-N
MW368.48 g/mol
LogP3.75
Rot. Bonds6

About 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24817414) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24817414
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-4-16(2)15-24-13-10-18(11-14-24)25-20(9-12-22-25)23-21(26)17-5-7-19(27-3)8-6-17/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,26)/b16-4+
InChIKeyVEDVFWXESWZMRY-AYSLTRBKSA-N
XLogP3.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 29215915
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CID 24816610
4-methoxy-N-[2-[1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 95228095
4-methoxy-N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25379021
N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42567750
N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
CID 42591639
4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 26392217
4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 56700714
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51595159

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24817414) is 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide is C/C=C(\C)CN1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is VEDVFWXESWZMRY-AYSLTRBKSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-16(2)15-24-13-10-18(11-14-24)25-20(9-12-22-25)23-21(26)17-5-7-19(27-3)8-6-17/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,26)/b16-4+.
What are the key properties of 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24817414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).