[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

C20H25NO5S — CID 90590425

IUPAC[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H25NO5S/c1-15(2)26-17-7-5-16(6-8-17)20(22)21-11-9-19(10-12-21)27(23,24)14-18-4-3-13-25-18/h3-8,13,15,19H,9-12,14H2,1-2H3
InChIKeyOCIQVORMWIXETE-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.29
Rot. Bonds6

About [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 90590425) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID90590425
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H25NO5S/c1-15(2)26-17-7-5-16(6-8-17)20(22)21-11-9-19(10-12-21)27(23,24)14-18-4-3-13-25-18/h3-8,13,15,19H,9-12,14H2,1-2H3
InChIKeyOCIQVORMWIXETE-UHFFFAOYSA-N
XLogP3.29
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
[(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 99873509
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 71808871
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590552
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90590539

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 90590425) is [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1.
What is the InChIKey of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is OCIQVORMWIXETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-15(2)26-17-7-5-16(6-8-17)20(22)21-11-9-19(10-12-21)27(23,24)14-18-4-3-13-25-18/h3-8,13,15,19H,9-12,14H2,1-2H3.
What are the key properties of [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 391.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 90590425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).