1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine

C20H35N3O4S — CID 42290040

IUPAC1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine
SMILESCOCCn1c(CN2CCC(OC)CC2)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C20H35N3O4S/c1-26-14-13-23-17(16-22-11-9-18(27-2)10-12-22)15-21-20(23)28(24,25)19-7-5-3-4-6-8-19/h15,18-19H,3-14,16H2,1-2H3
InChIKeyBRWJMJBYKCUKSZ-UHFFFAOYSA-N
MW413.58 g/mol
LogP2.64
Rot. Bonds8

About 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine

1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine (PubChem CID 42290040) has the molecular formula C20H35N3O4S and a molecular weight of 413.58 g/mol. Its IUPAC name is 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine
PubChem CID42290040
Molecular FormulaC20H35N3O4S
Molecular Weight413.58 g/mol
Exact Mass413.23
IUPAC Name1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine
SMILESCOCCn1c(CN2CCC(OC)CC2)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C20H35N3O4S/c1-26-14-13-23-17(16-22-11-9-18(27-2)10-12-22)15-21-20(23)28(24,25)19-7-5-3-4-6-8-19/h15,18-19H,3-14,16H2,1-2H3
InChIKeyBRWJMJBYKCUKSZ-UHFFFAOYSA-N
XLogP2.64
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.58
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
The IUPAC name of 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine (CID 42290040) is 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine is COCCn1c(CN2CCC(OC)CC2)cnc1S(=O)(=O)C1CCCCCC1.
What is the InChIKey of 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
The InChIKey is BRWJMJBYKCUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4S/c1-26-14-13-23-17(16-22-11-9-18(27-2)10-12-22)15-21-20(23)28(24,25)19-7-5-3-4-6-8-19/h15,18-19H,3-14,16H2,1-2H3.
What are the key properties of 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine has a molecular weight of 413.58 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 42290040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).