[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone

C23H34N4O2S — CID 97023508

IUPAC[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1CCC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1
InChIInChI=1S/C23H34N4O2S/c1-18-5-3-4-12-26(18)13-8-19-9-14-27(15-10-19)22(28)21-7-6-20(29-21)17-30-23-24-11-16-25(23)2/h6-7,11,16,18-19H,3-5,8-10,12-15,17H2,1-2H3/t18-/m1/s1
InChIKeySCZLBYLRMMQUBF-GOSISDBHSA-N
MW430.62 g/mol
LogP4.42
Rot. Bonds7

About [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone

[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone (PubChem CID 97023508) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
PubChem CID97023508
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1CCC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1
InChIInChI=1S/C23H34N4O2S/c1-18-5-3-4-12-26(18)13-8-19-9-14-27(15-10-19)22(28)21-7-6-20(29-21)17-30-23-24-11-16-25(23)2/h6-7,11,16,18-19H,3-5,8-10,12-15,17H2,1-2H3/t18-/m1/s1
InChIKeySCZLBYLRMMQUBF-GOSISDBHSA-N
XLogP4.42
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone;dihydrochloride
CID 119373580
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 124690767
[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55653095
[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55615893
[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55977004
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 55616317
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 166189885
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 120742864
4-[[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029347
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563
N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 119601422
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60555051

Frequently Asked Questions

What is the IUPAC name of [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone (CID 97023508) is [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone is C[C@@H]1CCCCN1CCC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1.
What is the InChIKey of [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
The InChIKey is SCZLBYLRMMQUBF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-18-5-3-4-12-26(18)13-8-19-9-14-27(15-10-19)22(28)21-7-6-20(29-21)17-30-23-24-11-16-25(23)2/h6-7,11,16,18-19H,3-5,8-10,12-15,17H2,1-2H3/t18-/m1/s1.
What are the key properties of [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone?
[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone has a molecular weight of 430.62 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97023508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).