1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide

C20H34N4O3S — CID 25287027

IUPAC1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCn1c(CN2CCC(C(N)=O)CC2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C20H34N4O3S/c1-2-3-11-24-17(15-23-12-9-16(10-13-23)19(21)25)14-22-20(24)28(26,27)18-7-5-4-6-8-18/h14,16,18H,2-13,15H2,1H3,(H2,21,25)
InChIKeyAVRGJVGUVJAOEM-UHFFFAOYSA-N
MW410.58 g/mol
LogP2.49
Rot. Bonds8

About 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide

1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 25287027) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID25287027
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC Name1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCn1c(CN2CCC(C(N)=O)CC2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C20H34N4O3S/c1-2-3-11-24-17(15-23-12-9-16(10-13-23)19(21)25)14-22-20(24)28(26,27)18-7-5-4-6-8-18/h14,16,18H,2-13,15H2,1H3,(H2,21,25)
InChIKeyAVRGJVGUVJAOEM-UHFFFAOYSA-N
XLogP2.49
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclobutylcarbonyl)-N-{[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}-4-piperidinecarboxamide
CID 72846373
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-L-prolinamide
CID 25273965
1-acetyl-4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-1,4-diazepane
CID 25274489
1-cyclohexyl-4-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}piperazine
CID 28393918
2-(4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 28666213
4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)thiomorpholine
CID 28811598
1-isopropyl-4-{[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]methyl}piperazine
CID 30673978
1-[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine
CID 30722304
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)dimethylamine
CID 42097491
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-4-methylpiperidine
CID 42196262
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-L-prolinamide
CID 42509391

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide (CID 25287027) is 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide is CCCCn1c(CN2CCC(C(N)=O)CC2)cnc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AVRGJVGUVJAOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-2-3-11-24-17(15-23-12-9-16(10-13-23)19(21)25)14-22-20(24)28(26,27)18-7-5-4-6-8-18/h14,16,18H,2-13,15H2,1H3,(H2,21,25).
What are the key properties of 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide?
1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25287027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).