N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H26N4O2 — CID 24793292

IUPACN-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-15-3-2-4-16(13-15)14-20(26)24-11-8-18(9-12-24)25-19(7-10-22-25)23-21(27)17-5-6-17/h2-4,7,10,13,17-18H,5-6,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyGOXVCKCGHTVJLA-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.95
Rot. Bonds5

About N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793292) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793292
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-15-3-2-4-16(13-15)14-20(26)24-11-8-18(9-12-24)25-19(7-10-22-25)23-21(27)17-5-6-17/h2-4,7,10,13,17-18H,5-6,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyGOXVCKCGHTVJLA-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 29185071
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
2-(3-methylphenyl)-1-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124725456
N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 42216536
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26322158
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793292) is N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is Cc1cccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is GOXVCKCGHTVJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-3-2-4-16(13-15)14-20(26)24-11-8-18(9-12-24)25-19(7-10-22-25)23-21(27)17-5-6-17/h2-4,7,10,13,17-18H,5-6,8-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).