4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one

C13H23N3O2 — CID 81087263

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

About 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one

4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 81087263) 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]-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID81087263
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(CN)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(9-14)8-12(17)15-4-6-16(7-5-15)13(18)11-2-3-11/h10-11H,2-9,14H2,1H3
InChIKeyCYEMFCSWOBZJCS-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-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80543127
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128
4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3-methylbutan-2-ylsulfanyl)ethanone
CID 71995425
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 81087263) is 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(CN)CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is CYEMFCSWOBZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(9-14)8-12(17)15-4-6-16(7-5-15)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]-3-methylbutan-1-one?
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-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]-3-methylbutan-1-one is sourced from PubChem (CID 81087263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).