1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C18H24N4O3 — CID 47047755

IUPAC1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C18H24N4O3/c1-13(2)16(23)20-8-10-21(11-9-20)17(24)14-4-3-5-15(12-14)22-7-6-19-18(22)25/h3-5,12-13H,6-11H2,1-2H3,(H,19,25)
InChIKeyKRYIVCHBOVHVLR-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.16
Rot. Bonds3

About 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 47047755) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID47047755
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C18H24N4O3/c1-13(2)16(23)20-8-10-21(11-9-20)17(24)14-4-3-5-15(12-14)22-7-6-19-18(22)25/h3-5,12-13H,6-11H2,1-2H3,(H,19,25)
InChIKeyKRYIVCHBOVHVLR-UHFFFAOYSA-N
XLogP1.16
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55830150
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131956
4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 55738186
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71892507
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 47047755) is 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is CC(C)C(=O)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1.
What is the InChIKey of 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is KRYIVCHBOVHVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)16(23)20-8-10-21(11-9-20)17(24)14-4-3-5-15(12-14)22-7-6-19-18(22)25/h3-5,12-13H,6-11H2,1-2H3,(H,19,25).
What are the key properties of 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 47047755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).