1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine

C18H31N3O4S — CID 45193242

IUPAC1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine
SMILESCOCCn1c(CN2CCCCC2COC)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C18H31N3O4S/c1-24-10-9-21-17(12-20-8-4-3-5-16(20)13-25-2)11-19-18(21)26(22,23)14-15-6-7-15/h11,15-16H,3-10,12-14H2,1-2H3
InChIKeyIVFREXJEOSLWHG-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.71
Rot. Bonds10

About 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine

1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine (PubChem CID 45193242) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine
PubChem CID45193242
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC Name1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine
SMILESCOCCn1c(CN2CCCCC2COC)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C18H31N3O4S/c1-24-10-9-21-17(12-20-8-4-3-5-16(20)13-25-2)11-19-18(21)26(22,23)14-15-6-7-15/h11,15-16H,3-10,12-14H2,1-2H3
InChIKeyIVFREXJEOSLWHG-UHFFFAOYSA-N
XLogP1.71
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
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
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
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
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine?
The IUPAC name of 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine (CID 45193242) is 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine?
The canonical SMILES for 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine is COCCn1c(CN2CCCCC2COC)cnc1S(=O)(=O)CC1CC1.
What is the InChIKey of 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine?
The InChIKey is IVFREXJEOSLWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-24-10-9-21-17(12-20-8-4-3-5-16(20)13-25-2)11-19-18(21)26(22,23)14-15-6-7-15/h11,15-16H,3-10,12-14H2,1-2H3.
What are the key properties of 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine?
1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine has a molecular weight of 385.53 g/mol, XLogP of 1.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(methoxymethyl)piperidine is sourced from PubChem (CID 45193242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).