4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide

C13H26N4O — CID 116658138

IUPAC4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
SMILESCCC(CN)N1CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C13H26N4O/c1-2-12(10-14)16-6-8-17(9-7-16)13(18)15-11-4-3-5-11/h11-12H,2-10,14H2,1H3,(H,15,18)
InChIKeySEHCUQPTQRNXHH-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.60
Rot. Bonds4

About 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide

4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide (PubChem CID 116658138) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
PubChem CID116658138
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
SMILESCCC(CN)N1CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C13H26N4O/c1-2-12(10-14)16-6-8-17(9-7-16)13(18)15-11-4-3-5-11/h11-12H,2-10,14H2,1H3,(H,15,18)
InChIKeySEHCUQPTQRNXHH-UHFFFAOYSA-N
XLogP0.60
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 63338975
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 104892242
4-(1-amino-2-methylpropan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658140
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658958
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65152178
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000181
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341204
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide (CID 116658138) is 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide is CCC(CN)N1CCN(C(=O)NC2CCC2)CC1.
What is the InChIKey of 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The InChIKey is SEHCUQPTQRNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-12(10-14)16-6-8-17(9-7-16)13(18)15-11-4-3-5-11/h11-12H,2-10,14H2,1H3,(H,15,18).
What are the key properties of 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide is sourced from PubChem (CID 116658138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).