N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide

C29H34N4O3 — CID 45205259

IUPACN-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N4CCCC(C(=O)CC(C)C)C4)c3)c2)c1
InChIInChI=1S/C29H34N4O3/c1-20(2)13-27(34)24-10-6-12-32(18-24)29(36)23-9-5-11-26(16-23)33-19-25(17-30-33)31-28(35)15-22-8-4-7-21(3)14-22/h4-5,7-9,11,14,16-17,19-20,24H,6,10,12-13,15,18H2,1-3H3,(H,31,35)
InChIKeyHBCZMJLFXWPRCH-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.83
Rot. Bonds8

About N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide

N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide (PubChem CID 45205259) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
PubChem CID45205259
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N4CCCC(C(=O)CC(C)C)C4)c3)c2)c1
InChIInChI=1S/C29H34N4O3/c1-20(2)13-27(34)24-10-6-12-32(18-24)29(36)23-9-5-11-26(16-23)33-19-25(17-30-33)31-28(35)15-22-8-4-7-21(3)14-22/h4-5,7-9,11,14,16-17,19-20,24H,6,10,12-13,15,18H2,1-3H3,(H,31,35)
InChIKeyHBCZMJLFXWPRCH-UHFFFAOYSA-N
XLogP4.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 42481734
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 42274009
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide (CID 45205259) is N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N4CCCC(C(=O)CC(C)C)C4)c3)c2)c1.
What is the InChIKey of N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is HBCZMJLFXWPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-20(2)13-27(34)24-10-6-12-32(18-24)29(36)23-9-5-11-26(16-23)33-19-25(17-30-33)31-28(35)15-22-8-4-7-21(3)14-22/h4-5,7-9,11,14,16-17,19-20,24H,6,10,12-13,15,18H2,1-3H3,(H,31,35).
What are the key properties of N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide?
N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 486.62 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 45205259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).