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

C16H26N2O3 — CID 155875540

IUPAC1-[(3aR,6S,7aR)-6-(4-methylpiperidine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](C(=O)N2CCC(C)CC2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C16H26N2O3/c1-11-3-6-17(7-4-11)16(20)13-9-15-14(5-8-21-15)18(10-13)12(2)19/h11,13-15H,3-10H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeySRNQXWZRZYKFML-RRFJBIMHSA-N
MW294.39 g/mol
LogP1.27
Rot. Bonds1

About 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

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 (PubChem CID 155875540) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(3aR,6S,7aR)-6-(4-methylpiperidine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]ethanone
PubChem CID155875540
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[(3aR,6S,7aR)-6-(4-methylpiperidine-1-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](C(=O)N2CCC(C)CC2)C[C@H]2OCC[C@H]21
InChIInChI=1S/C16H26N2O3/c1-11-3-6-17(7-4-11)16(20)13-9-15-14(5-8-21-15)18(10-13)12(2)19/h11,13-15H,3-10H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeySRNQXWZRZYKFML-RRFJBIMHSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

[(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
[(3aS,6R,7aS)-4-(thiophene-3-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 124793711
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
(3aR,6S,7aR)-4-acetyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155876280
1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 155869695
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 131687038
[(3aS,4S,7aS)-4-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131684563
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 134051301
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1C[C@@H](C(=O)N2CCC(C)CC2)C[C@H]2OCC[C@H]21.
What is the InChIKey of 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?
The InChIKey is SRNQXWZRZYKFML-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-3-6-17(7-4-11)16(20)13-9-15-14(5-8-21-15)18(10-13)12(2)19/h11,13-15H,3-10H2,1-2H3/t13-,14+,15+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 294.39 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155875540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).