[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

C14H27N3O — CID 107000181

IUPAC[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCCC(CN)N1CCN(C(=O)C2CC2(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-4-11(10-15)16-5-7-17(8-6-16)13(18)12-9-14(12,2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyFAIUIZSRUKZWNL-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds4

About [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000181) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000181
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCCC(CN)N1CCN(C(=O)C2CC2(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-4-11(10-15)16-5-7-17(8-6-16)13(18)12-9-14(12,2)3/h11-12H,4-10,15H2,1-3H3
InChIKeyFAIUIZSRUKZWNL-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174637
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341204
4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658138
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65152178
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 107000181) is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CCC(CN)N1CCN(C(=O)C2CC2(C)C)CC1.
What is the InChIKey of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is FAIUIZSRUKZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-11(10-15)16-5-7-17(8-6-16)13(18)12-9-14(12,2)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 253.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).