6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one

C14H16N4O3 — CID 169489603

IUPAC6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one
SMILESCC(=O)N1CCN(C(=O)C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C14H16N4O3/c1-9(19)17-4-6-18(7-5-17)13(20)10-2-3-11-12(8-10)16-14(21)15-11/h2-3,8,10H,4-7H2,1H3,(H,16,21)
InChIKeyRPVKWQRACPILGC-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.09
Rot. Bonds1

About 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one

6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one (PubChem CID 169489603) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one
PubChem CID169489603
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one
SMILESCC(=O)N1CCN(C(=O)C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C14H16N4O3/c1-9(19)17-4-6-18(7-5-17)13(20)10-2-3-11-12(8-10)16-14(21)15-11/h2-3,8,10H,4-7H2,1H3,(H,16,21)
InChIKeyRPVKWQRACPILGC-UHFFFAOYSA-N
XLogP-0.09
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one (CID 169489603) is 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one is CC(=O)N1CCN(C(=O)C2C=CC3=NC(=O)NC3=C2)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one?
The InChIKey is RPVKWQRACPILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(19)17-4-6-18(7-5-17)13(20)10-2-3-11-12(8-10)16-14(21)15-11/h2-3,8,10H,4-7H2,1H3,(H,16,21).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one?
6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one has a molecular weight of 288.31 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 169489603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).