1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one

C23H25NO4S — CID 90590502

IUPAC1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
SMILESO=C(CCc1cccc2ccccc12)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C23H25NO4S/c25-23(11-10-19-7-3-6-18-5-1-2-9-22(18)19)24-14-12-21(13-15-24)29(26,27)17-20-8-4-16-28-20/h1-9,16,21H,10-15,17H2
InChIKeyJSNPKGCMORZBOJ-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.97
Rot. Bonds6

About 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one

1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one (PubChem CID 90590502) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
PubChem CID90590502
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
SMILESO=C(CCc1cccc2ccccc12)N1CCC(S(=O)(=O)Cc2ccco2)CC1
InChIInChI=1S/C23H25NO4S/c25-23(11-10-19-7-3-6-18-5-1-2-9-22(18)19)24-14-12-21(13-15-24)29(26,27)17-20-8-4-16-28-20/h1-9,16,21H,10-15,17H2
InChIKeyJSNPKGCMORZBOJ-UHFFFAOYSA-N
XLogP3.97
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 90590567
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
3-(4-chloro-3-fluorophenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 71808880
3-[3-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90590574
1-[(3R)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 99873503
2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590475
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
CID 71809402
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one?
The IUPAC name of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one (CID 90590502) is 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one is O=C(CCc1cccc2ccccc12)N1CCC(S(=O)(=O)Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one?
The InChIKey is JSNPKGCMORZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c25-23(11-10-19-7-3-6-18-5-1-2-9-22(18)19)24-14-12-21(13-15-24)29(26,27)17-20-8-4-16-28-20/h1-9,16,21H,10-15,17H2.
What are the key properties of 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one?
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one has a molecular weight of 411.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 90590502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).