(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide

C16H22N2O4 — CID 128979440

IUPAC(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1
InChIInChI=1S/C16H22N2O4/c1-10-2-3-13(22-10)16(20)18-7-4-11(5-8-18)14-12(15(17)19)6-9-21-14/h2-3,11-12,14H,4-9H2,1H3,(H2,17,19)/t12-,14+/m0/s1
InChIKeyRYCRNMABNLYDQP-GXTWGEPZSA-N
MW306.36 g/mol
LogP1.33
Rot. Bonds3

About (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128979440) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128979440
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1
InChIInChI=1S/C16H22N2O4/c1-10-2-3-13(22-10)16(20)18-7-4-11(5-8-18)14-12(15(17)19)6-9-21-14/h2-3,11-12,14H,4-9H2,1H3,(H2,17,19)/t12-,14+/m0/s1
InChIKeyRYCRNMABNLYDQP-GXTWGEPZSA-N
XLogP1.33
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167894841
(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128989167
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154756732
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 108730619
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95758944
(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167800689
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977647
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 33184078
[(4aR,8aR)-4-methylsulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-methylfuran-2-yl)methanone
CID 124801822

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide (CID 128979440) is (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide is Cc1ccc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)o1.
What is the InChIKey of (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is RYCRNMABNLYDQP-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10-2-3-13(22-10)16(20)18-7-4-11(5-8-18)14-12(15(17)19)6-9-21-14/h2-3,11-12,14H,4-9H2,1H3,(H2,17,19)/t12-,14+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128979440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).