2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone

C19H22N4O2 — CID 95294822

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c24-17(13-14-5-1-2-6-14)22-9-11-23(12-10-22)19(25)18-15-7-3-4-8-16(15)20-21-18/h1,3-5,7-8,14H,2,6,9-13H2,(H,20,21)/t14-/m0/s1
InChIKeyNGOMKRGJBOUVAP-AWEZNQCLSA-N
MW338.41 g/mol
LogP2.20
Rot. Bonds3

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 95294822) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID95294822
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c24-17(13-14-5-1-2-6-14)22-9-11-23(12-10-22)19(25)18-15-7-3-4-8-16(15)20-21-18/h1,3-5,7-8,14H,2,6,9-13H2,(H,20,21)/t14-/m0/s1
InChIKeyNGOMKRGJBOUVAP-AWEZNQCLSA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone (CID 95294822) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone is O=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NGOMKRGJBOUVAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-17(13-14-5-1-2-6-14)22-9-11-23(12-10-22)19(25)18-15-7-3-4-8-16(15)20-21-18/h1,3-5,7-8,14H,2,6,9-13H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 95294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).