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

C21H24N4O3 — CID 24793168

IUPACN-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC(=O)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C21H24N4O3/c1-14(26)17-4-2-3-5-18(17)21(28)24-12-9-16(10-13-24)25-19(8-11-22-25)23-20(27)15-6-7-15/h2-5,8,11,15-16H,6-7,9-10,12-13H2,1H3,(H,23,27)
InChIKeyGJFWETZEAJEUGW-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793168) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793168
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC(=O)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C21H24N4O3/c1-14(26)17-4-2-3-5-18(17)21(28)24-12-9-16(10-13-24)25-19(8-11-22-25)23-20(27)15-6-7-15/h2-5,8,11,15-16H,6-7,9-10,12-13H2,1H3,(H,23,27)
InChIKeyGJFWETZEAJEUGW-UHFFFAOYSA-N
XLogP2.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283623
Smo-IN-2
CID 147359459
N-[2-[1-(2-methylbenzyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide
CID 24790158
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790481
N-(1-{1-[3-(acetylamino)benzoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 24790589
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24790604
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790657
2-methyl-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24790704
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24790768
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methylbenzamide
CID 24791098
2-methyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791146
N-[2-[1-(4-isobutylbenzyl)-4-piperidyl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24791278

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793168) is N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CC(=O)c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is GJFWETZEAJEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(26)17-4-2-3-5-18(17)21(28)24-12-9-16(10-13-24)25-19(8-11-22-25)23-20(27)15-6-7-15/h2-5,8,11,15-16H,6-7,9-10,12-13H2,1H3,(H,23,27).
What are the key properties of N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-acetylbenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).