1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C19H24N4O2 — CID 124963523

IUPAC1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCn2nccc2C)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-15-8-10-20-23(15)11-9-19(25)22-13-12-21(16(2)24)14-18(22)17-6-4-3-5-7-17/h3-8,10,18H,9,11-14H2,1-2H3/t18-/m0/s1
InChIKeyHQUZTFAOEQVXMM-SFHVURJKSA-N
MW340.43 g/mol
LogP2.01
Rot. Bonds4

About 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 124963523) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID124963523
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCn2nccc2C)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-15-8-10-20-23(15)11-9-19(25)22-13-12-21(16(2)24)14-18(22)17-6-4-3-5-7-17/h3-8,10,18H,9,11-14H2,1-2H3/t18-/m0/s1
InChIKeyHQUZTFAOEQVXMM-SFHVURJKSA-N
XLogP2.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124996817
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110108555
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 77090927
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 125002392
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124964959
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 118773140
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 124963523) is 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is CC(=O)N1CCN(C(=O)CCn2nccc2C)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is HQUZTFAOEQVXMM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-8-10-20-23(15)11-9-19(25)22-13-12-21(16(2)24)14-18(22)17-6-4-3-5-7-17/h3-8,10,18H,9,11-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 124963523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).