4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one

C17H26N4O4S — CID 45217161

IUPAC4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCO2)CCN1
InChIInChI=1S/C17H26N4O4S/c22-16-11-20(6-5-18-16)9-14-8-19-17(26(23,24)12-13-3-4-13)21(14)10-15-2-1-7-25-15/h8,13,15H,1-7,9-12H2,(H,18,22)
InChIKeyGJXUYMXBKZGUDA-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.18
Rot. Bonds7

About 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one

4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one (PubChem CID 45217161) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one
PubChem CID45217161
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCO2)CCN1
InChIInChI=1S/C17H26N4O4S/c22-16-11-20(6-5-18-16)9-14-8-19-17(26(23,24)12-13-3-4-13)21(14)10-15-2-1-7-25-15/h8,13,15H,1-7,9-12H2,(H,18,22)
InChIKeyGJXUYMXBKZGUDA-UHFFFAOYSA-N
XLogP0.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
4-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45178507
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45179161
ethyl N-methyl-N-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}glycinate
CID 45181264
4-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-2-piperazinone
CID 45186799
2-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 45187954
ethyl 4-{[2-(methylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-1-piperazinecarboxylate
CID 45200663
4-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-1,4-diazepane-1-carbaldehyde
CID 45201547

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one (CID 45217161) is 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one is O=C1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCO2)CCN1.
What is the InChIKey of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one?
The InChIKey is GJXUYMXBKZGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c22-16-11-20(6-5-18-16)9-14-8-19-17(26(23,24)12-13-3-4-13)21(14)10-15-2-1-7-25-15/h8,13,15H,1-7,9-12H2,(H,18,22).
What are the key properties of 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one?
4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one has a molecular weight of 382.49 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 45217161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).