1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone

C18H21N3O2 — CID 124956509

IUPAC1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccn2C)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H21N3O2/c1-14(22)20-11-12-21(18(23)16-9-6-10-19(16)2)17(13-20)15-7-4-3-5-8-15/h3-10,17H,11-13H2,1-2H3/t17-/m1/s1
InChIKeyFSARXMLEOGJROK-QGZVFWFLSA-N
MW311.39 g/mol
LogP2.07
Rot. Bonds2

About 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone

1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone (PubChem CID 124956509) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
PubChem CID124956509
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccn2C)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H21N3O2/c1-14(22)20-11-12-21(18(23)16-9-6-10-19(16)2)17(13-20)15-7-4-3-5-8-15/h3-10,17H,11-13H2,1-2H3/t17-/m1/s1
InChIKeyFSARXMLEOGJROK-QGZVFWFLSA-N
XLogP2.07
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
1-[4-(1-methylimidazole-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 155983621
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 124982773
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110098205
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone (CID 124956509) is 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccn2C)[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is FSARXMLEOGJROK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(22)20-11-12-21(18(23)16-9-6-10-19(16)2)17(13-20)15-7-4-3-5-8-15/h3-10,17H,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone?
1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 311.39 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124956509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).