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

C19H21FN2O4 — CID 167894841

IUPAC(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)ccc3occc23)CC1
InChIInChI=1S/C19H21FN2O4/c20-14-1-2-15-12(5-9-25-15)16(14)19(24)22-7-3-11(4-8-22)17-13(18(21)23)6-10-26-17/h1-2,5,9,11,13,17H,3-4,6-8,10H2,(H2,21,23)/t13-,17+/m1/s1
InChIKeyDUGGRPCTHABDHF-DYVFJYSZSA-N
MW360.39 g/mol
LogP2.31
Rot. Bonds3

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

(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 167894841) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID167894841
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)ccc3occc23)CC1
InChIInChI=1S/C19H21FN2O4/c20-14-1-2-15-12(5-9-25-15)16(14)19(24)22-7-3-11(4-8-22)17-13(18(21)23)6-10-26-17/h1-2,5,9,11,13,17H,3-4,6-8,10H2,(H2,21,23)/t13-,17+/m1/s1
InChIKeyDUGGRPCTHABDHF-DYVFJYSZSA-N
XLogP2.31
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128989165
(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128979440
2-[(3R,4S)-1-(5-fluoro-1-benzofuran-4-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 167919768
(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977647
(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128989167
(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167800689
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
1-(2,6-difluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 82815172
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
(4-methylpiperazin-1-yl)-(2,3,6-trifluorophenyl)methanone
CID 171368041

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide (CID 167894841) is (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide is NC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(F)ccc3occc23)CC1.
What is the InChIKey of (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is DUGGRPCTHABDHF-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-14-1-2-15-12(5-9-25-15)16(14)19(24)22-7-3-11(4-8-22)17-13(18(21)23)6-10-26-17/h1-2,5,9,11,13,17H,3-4,6-8,10H2,(H2,21,23)/t13-,17+/m1/s1.
What are the key properties of (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide?
(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 167894841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).