3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one

C15H19N5O2 — CID 170858311

IUPAC3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C15H19N5O2/c16-6-5-13(21)19-7-9-20(10-8-19)15(22)14-11-3-1-2-4-12(11)17-18-14/h1-4H,5-10,16H2,(H,17,18)
InChIKeySKBWSSFDRSCQDB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.20
Rot. Bonds3

About 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 170858311) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID170858311
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C15H19N5O2/c16-6-5-13(21)19-7-9-20(10-8-19)15(22)14-11-3-1-2-4-12(11)17-18-14/h1-4H,5-10,16H2,(H,17,18)
InChIKeySKBWSSFDRSCQDB-UHFFFAOYSA-N
XLogP0.20
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
4-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858451
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
3-amino-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]propan-1-one
CID 67090021
[4-(2-amino-1,3-dihydroindene-2-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 75495968
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 95294822
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one (CID 170858311) is 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is SKBWSSFDRSCQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-6-5-13(21)19-7-9-20(10-8-19)15(22)14-11-3-1-2-4-12(11)17-18-14/h1-4H,5-10,16H2,(H,17,18).
What are the key properties of 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 301.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 170858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).