[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone

C13H25N3O — CID 80588050

IUPAC[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-11(2)15-6-8-16(9-7-15)12(17)13(10-14)4-5-13/h11H,3-10,14H2,1-2H3
InChIKeyKBRGIXASUUJRDO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone

[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone (PubChem CID 80588050) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
PubChem CID80588050
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-11(2)15-6-8-16(9-7-15)12(17)13(10-14)4-5-13/h11H,3-10,14H2,1-2H3
InChIKeyKBRGIXASUUJRDO-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
2-[1-(aminomethyl)cyclobutyl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 81168994
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
CID 80598636
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 120942772
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
2-bromo-1-(4-butan-2-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 114328618

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone (CID 80588050) is [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone is CCC(C)N1CCN(C(=O)C2(CN)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone?
The InChIKey is KBRGIXASUUJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-11(2)15-6-8-16(9-7-15)12(17)13(10-14)4-5-13/h11H,3-10,14H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 80588050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).