[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C20H29N5O4S — CID 86873761

IUPAC[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccco4)CC3)CC2)cn1C
InChIInChI=1S/C20H29N5O4S/c1-16-21-19(15-22(16)2)30(27,28)25-7-5-17(6-8-25)20(26)24-11-9-23(10-12-24)14-18-4-3-13-29-18/h3-4,13,15,17H,5-12,14H2,1-2H3
InChIKeyLRYGPKOKNIHFPQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP1.07
Rot. Bonds5

About [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 86873761) has the molecular formula C20H29N5O4S and a molecular weight of 435.55 g/mol. Its IUPAC name is [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID86873761
Molecular FormulaC20H29N5O4S
Molecular Weight435.55 g/mol
Exact Mass435.19
IUPAC Name[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccco4)CC3)CC2)cn1C
InChIInChI=1S/C20H29N5O4S/c1-16-21-19(15-22(16)2)30(27,28)25-7-5-17(6-8-25)20(26)24-11-9-23(10-12-24)14-18-4-3-13-29-18/h3-4,13,15,17H,5-12,14H2,1-2H3
InChIKeyLRYGPKOKNIHFPQ-UHFFFAOYSA-N
XLogP1.07
TPSA91.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296
(E)-1-[4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 86913295
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 86896652
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
[4-(furan-2-ylmethyl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97284491
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70758520
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638

Frequently Asked Questions

What is the IUPAC name of [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 86873761) is [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccco4)CC3)CC2)cn1C.
What is the InChIKey of [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LRYGPKOKNIHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S/c1-16-21-19(15-22(16)2)30(27,28)25-7-5-17(6-8-25)20(26)24-11-9-23(10-12-24)14-18-4-3-13-29-18/h3-4,13,15,17H,5-12,14H2,1-2H3.
What are the key properties of [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 435.55 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).