4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one

C13H23N3O2 — CID 80543127

IUPAC4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCC(CCN)C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(4-5-14)12(17)15-6-8-16(9-7-15)13(18)11-2-3-11/h10-11H,2-9,14H2,1H3
InChIKeyJTNKOTDGHRFRCL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.05
Rot. Bonds4

About 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one

4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one (PubChem CID 80543127) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one
PubChem CID80543127
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one
SMILESCC(CCN)C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(4-5-14)12(17)15-6-8-16(9-7-15)13(18)11-2-3-11/h10-11H,2-9,14H2,1H3
InChIKeyJTNKOTDGHRFRCL-UHFFFAOYSA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylbutan-1-one
CID 80543021
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
5-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylpentanamide
CID 104684107
N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
4-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutan-1-one
CID 80544959
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 80542423
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one (CID 80543127) is 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one is CC(CCN)C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is JTNKOTDGHRFRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(4-5-14)12(17)15-6-8-16(9-7-15)13(18)11-2-3-11/h10-11H,2-9,14H2,1H3.
What are the key properties of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one?
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 253.35 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 80543127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).