4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

C13H22N4O2 — CID 53499787

IUPAC4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)CCN1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-10(2)3-4-16-5-7-17(8-6-16)12(18)11-9-14-13(19)15-11/h9-10H,3-8H2,1-2H3,(H2,14,15,19)
InChIKeyQFFZYASAMPQPEC-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.51
Rot. Bonds4

About 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 53499787) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID53499787
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)CCN1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-10(2)3-4-16-5-7-17(8-6-16)12(18)11-9-14-13(19)15-11/h9-10H,3-8H2,1-2H3,(H2,14,15,19)
InChIKeyQFFZYASAMPQPEC-UHFFFAOYSA-N
XLogP0.51
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 53499787) is 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is CC(C)CCN1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is QFFZYASAMPQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)3-4-16-5-7-17(8-6-16)12(18)11-9-14-13(19)15-11/h9-10H,3-8H2,1-2H3,(H2,14,15,19).
What are the key properties of 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 53499787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).