[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone

C22H23NO2S — CID 71801069

IUPAC[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C22H23NO2S/c24-22(21-9-3-6-18-5-1-2-8-20(18)21)23-12-10-17(11-13-23)15-26-16-19-7-4-14-25-19/h1-9,14,17H,10-13,15-16H2
InChIKeyDTSVOEQSYHYNRN-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.22
Rot. Bonds5

About [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone

[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 71801069) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID71801069
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C22H23NO2S/c24-22(21-9-3-6-18-5-1-2-8-20(18)21)23-12-10-17(11-13-23)15-26-16-19-7-4-14-25-19/h1-9,14,17H,10-13,15-16H2
InChIKeyDTSVOEQSYHYNRN-UHFFFAOYSA-N
XLogP5.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 71801058
1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
CID 71801062
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801126
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71801076
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 118754358
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone (CID 71801069) is [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is DTSVOEQSYHYNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c24-22(21-9-3-6-18-5-1-2-8-20(18)21)23-12-10-17(11-13-23)15-26-16-19-7-4-14-25-19/h1-9,14,17H,10-13,15-16H2.
What are the key properties of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 365.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 71801069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).