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

C16H22N2O4 — CID 51329391

IUPAC[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccoc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N2O4/c1-12-4-8-22-14(12)16(20)18-5-2-3-13(11-18)15(19)17-6-9-21-10-7-17/h4,8,13H,2-3,5-7,9-11H2,1H3
InChIKeyZYWJDDXRIQWJKU-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.30
Rot. Bonds2

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

[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51329391) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID51329391
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccoc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N2O4/c1-12-4-8-22-14(12)16(20)18-5-2-3-13(11-18)15(19)17-6-9-21-10-7-17/h4,8,13H,2-3,5-7,9-11H2,1H3
InChIKeyZYWJDDXRIQWJKU-UHFFFAOYSA-N
XLogP1.30
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 43064177
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
1-(3-methylfuran-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43035253
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
[3-(2-chloroethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63396186
(3-methylfuran-2-yl)-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 126433602
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 95298396
4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
CID 79674751

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 51329391) is [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is Cc1ccoc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZYWJDDXRIQWJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12-4-8-22-14(12)16(20)18-5-2-3-13(11-18)15(19)17-6-9-21-10-7-17/h4,8,13H,2-3,5-7,9-11H2,1H3.
What are the key properties of [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 306.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51329391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).