[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone

C18H19NO3 — CID 18143330

IUPAC[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESCc1occc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H19NO3/c1-13-16(9-12-22-13)18(21)19-10-7-15(8-11-19)17(20)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3
InChIKeyWXSVTDMPJDXNNS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.32
Rot. Bonds3

About [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone

[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone (PubChem CID 18143330) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
PubChem CID18143330
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
SMILESCc1occc1C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H19NO3/c1-13-16(9-12-22-13)18(21)19-10-7-15(8-11-19)17(20)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3
InChIKeyWXSVTDMPJDXNNS-UHFFFAOYSA-N
XLogP3.32
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51104236
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024621
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46579880
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone (CID 18143330) is [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone is Cc1occc1C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is WXSVTDMPJDXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-16(9-12-22-13)18(21)19-10-7-15(8-11-19)17(20)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3.
What are the key properties of [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone?
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 297.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 18143330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).