1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one

C13H23N3O2 — CID 115452797

IUPAC1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(2)11(17)15-5-7-16(8-6-15)12(18)13(9-14)3-4-13/h10H,3-9,14H2,1-2H3
InChIKeySDPGXIQNBLLFDJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.05
Rot. Bonds3

About 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 115452797) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID115452797
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(2)11(17)15-5-7-16(8-6-15)12(18)13(9-14)3-4-13/h10H,3-9,14H2,1-2H3
InChIKeySDPGXIQNBLLFDJ-UHFFFAOYSA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one (CID 115452797) is 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(C(=O)C2(CN)CC2)CC1.
What is the InChIKey of 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is SDPGXIQNBLLFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)11(17)15-5-7-16(8-6-15)12(18)13(9-14)3-4-13/h10H,3-9,14H2,1-2H3.
What are the key properties of 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 253.35 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 115452797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).