[(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone

C17H24N4O2 — CID 139020805

IUPAC[(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1cc(N2CCCCC2)ncn1)N1CC[C@@H]2OCC[C@@H]2C1
InChIInChI=1S/C17H24N4O2/c22-17(21-8-4-15-13(11-21)5-9-23-15)14-10-16(19-12-18-14)20-6-2-1-3-7-20/h10,12-13,15H,1-9,11H2/t13-,15+/m1/s1
InChIKeyOZYKZTZTNQMPTQ-HIFRSBDPSA-N
MW316.40 g/mol
LogP1.72
Rot. Bonds2

About [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone

[(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 139020805) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID139020805
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name[(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1cc(N2CCCCC2)ncn1)N1CC[C@@H]2OCC[C@@H]2C1
InChIInChI=1S/C17H24N4O2/c22-17(21-8-4-15-13(11-21)5-9-23-15)14-10-16(19-12-18-14)20-6-2-1-3-7-20/h10,12-13,15H,1-9,11H2/t13-,15+/m1/s1
InChIKeyOZYKZTZTNQMPTQ-HIFRSBDPSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 75361098
[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97367286
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97369347
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369453
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369659
1-(6-Morpholinopyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 91816381
4-{[4-(Isopropoxymethyl)piperidin-1-yl]carbonyl}-2-isopropylpyrimidine
CID 118794982
2-[(1S,3aR,7aR)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-1-piperidin-1-ylethanone
CID 131685566
Tert-butyl 4-[1-(6-carbamoylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24962160
(4-aminopiperidin-1-yl)-[6-[[(2R)-oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 139546881
[6-(Oxan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 153939968
6-[4-[3-(Oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376564

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone (CID 139020805) is [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone is O=C(c1cc(N2CCCCC2)ncn1)N1CC[C@@H]2OCC[C@@H]2C1.
What is the InChIKey of [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is OZYKZTZTNQMPTQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-17(21-8-4-15-13(11-21)5-9-23-15)14-10-16(19-12-18-14)20-6-2-1-3-7-20/h10,12-13,15H,1-9,11H2/t13-,15+/m1/s1.
What are the key properties of [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
[(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 139020805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).