4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one

C14H25N3O2 — CID 80597971

IUPAC4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCC1CC(CN)(C(=O)N2CCN(C)C(=O)C2(C)C)C1
InChIInChI=1S/C14H25N3O2/c1-10-7-14(8-10,9-15)12(19)17-6-5-16(4)11(18)13(17,2)3/h10H,5-9,15H2,1-4H3
InChIKeyAAIPTXZQFXJHPI-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.44
Rot. Bonds2

About 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one

4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 80597971) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one
PubChem CID80597971
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one
SMILESCC1CC(CN)(C(=O)N2CCN(C)C(=O)C2(C)C)C1
InChIInChI=1S/C14H25N3O2/c1-10-7-14(8-10,9-15)12(19)17-6-5-16(4)11(18)13(17,2)3/h10H,5-9,15H2,1-4H3
InChIKeyAAIPTXZQFXJHPI-UHFFFAOYSA-N
XLogP0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one (CID 80597971) is 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one is CC1CC(CN)(C(=O)N2CCN(C)C(=O)C2(C)C)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one?
The InChIKey is AAIPTXZQFXJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-7-14(8-10,9-15)12(19)17-6-5-16(4)11(18)13(17,2)3/h10H,5-9,15H2,1-4H3.
What are the key properties of 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one?
4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-methylcyclobutanecarbonyl]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 80597971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).