[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone

C19H28N2O3 — CID 97362944

IUPAC[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccoc3)C2)CC1
InChIInChI=1S/C19H28N2O3/c1-14-2-6-20(7-3-14)19(22)16-10-18-17(5-9-24-18)21(12-16)11-15-4-8-23-13-15/h4,8,13-14,16-18H,2-3,5-7,9-12H2,1H3/t16-,17-,18-/m1/s1
InChIKeyHLASQJFIEZGUPD-KZNAEPCWSA-N
MW332.44 g/mol
LogP2.52
Rot. Bonds3

About [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone

[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 97362944) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID97362944
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccoc3)C2)CC1
InChIInChI=1S/C19H28N2O3/c1-14-2-6-20(7-3-14)19(22)16-10-18-17(5-9-24-18)21(12-16)11-15-4-8-23-13-15/h4,8,13-14,16-18H,2-3,5-7,9-12H2,1H3/t16-,17-,18-/m1/s1
InChIKeyHLASQJFIEZGUPD-KZNAEPCWSA-N
XLogP2.52
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124785768
1-[(3aR,6S,7aR)-6-(4-methylpiperidine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]ethanone
CID 155875540
[(3aS,6R,7aS)-4-(pyridin-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124786964
[(3aR,6S,7aR)-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97380401
[(4R,4aS,8aR)-6-(furan-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 97367149
[(4aS,8aS)-4-(pyridin-4-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 131685934
[(3aR,6S,7aR)-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380371
(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 131682357
2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124520979
(3aS,6R,7aS)-N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124796632
(3aR,6S,7aR)-N-(cyclopropylmethyl)-4-[(3-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155875892
(3aR,6S,7aR)-4-[(4-methoxyphenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155846322

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone (CID 97362944) is [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccoc3)C2)CC1.
What is the InChIKey of [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HLASQJFIEZGUPD-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-2-6-20(7-3-14)19(22)16-10-18-17(5-9-24-18)21(12-16)11-15-4-8-23-13-15/h4,8,13-14,16-18H,2-3,5-7,9-12H2,1H3/t16-,17-,18-/m1/s1.
What are the key properties of [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone?
[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 332.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 97362944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).