[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone

C23H23NO3S — CID 45248371

IUPAC[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCSCc1ccc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)o1
InChIInChI=1S/C23H23NO3S/c1-28-15-20-10-11-21(27-20)23(26)24-12-4-7-19(14-24)22(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19H,4,7,12,14-15H2,1H3
InChIKeyCQWTZZFAIWFLMR-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.03
Rot. Bonds5

About [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone

[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 45248371) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID45248371
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCSCc1ccc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)o1
InChIInChI=1S/C23H23NO3S/c1-28-15-20-10-11-21(27-20)23(26)24-12-4-7-19(14-24)22(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19H,4,7,12,14-15H2,1H3
InChIKeyCQWTZZFAIWFLMR-UHFFFAOYSA-N
XLogP5.03
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
ethyl (3S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylate
CID 81338389
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 56914040
[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 24793132
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 26319479
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70720168
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396

Frequently Asked Questions

What is the IUPAC name of [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone (CID 45248371) is [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone is CSCc1ccc(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)o1.
What is the InChIKey of [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is CQWTZZFAIWFLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-28-15-20-10-11-21(27-20)23(26)24-12-4-7-19(14-24)22(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19H,4,7,12,14-15H2,1H3.
What are the key properties of [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 393.51 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 45248371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).