1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

C14H24N4O3S — CID 72907974

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O3S/c1-11(2)13-15-5-6-18(13)12(3)14(19)16-7-9-17(10-8-16)22(4,20)21/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPMXASFCSUHWYEJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.67
Rot. Bonds4

About 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 72907974) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID72907974
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O3S/c1-11(2)13-15-5-6-18(13)12(3)14(19)16-7-9-17(10-8-16)22(4,20)21/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPMXASFCSUHWYEJ-UHFFFAOYSA-N
XLogP0.67
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
N-[3-oxo-3-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 72143157
2-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150044
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72150070
2-{4-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-1-piperazinyl}pyrazine
CID 72880468
2-(2-isopropyl-1H-imidazol-1-yl)-N-[1-(methylsulfonyl)-4-piperidinyl]propanamide
CID 72891813
ethyl 4-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-1-piperazinecarboxylate
CID 72937047
(8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-methylsulfonyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368534
1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383316
(1-methyl-1H-imidazol-2-yl){3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}methanone
CID 91921431
N~2~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-1-methyl-1H-imidazole-2-carboxamide
CID 91923124
N,N-dimethyl-2-{4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}propanamide
CID 118784259

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 72907974) is 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1C(C)C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is PMXASFCSUHWYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11(2)13-15-5-6-18(13)12(3)14(19)16-7-9-17(10-8-16)22(4,20)21/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 328.44 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 72907974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).