(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C18H26N4O3 — CID 56882290

IUPAC(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESO=C(c1ccon1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CCNCC2)C1
InChIInChI=1S/C18H26N4O3/c23-17-2-1-14-12-21(18(24)15-6-10-25-20-15)9-5-16(14)22(17)11-13-3-7-19-8-4-13/h6,10,13-14,16,19H,1-5,7-9,11-12H2/t14-,16+/m0/s1
InChIKeyORQLBXPTOLKAQI-GOEBONIOSA-N
MW346.43 g/mol
LogP1.13
Rot. Bonds3

About (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 56882290) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID56882290
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESO=C(c1ccon1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CCNCC2)C1
InChIInChI=1S/C18H26N4O3/c23-17-2-1-14-12-21(18(24)15-6-10-25-20-15)9-5-16(14)22(17)11-13-3-7-19-8-4-13/h6,10,13-14,16,19H,1-5,7-9,11-12H2/t14-,16+/m0/s1
InChIKeyORQLBXPTOLKAQI-GOEBONIOSA-N
XLogP1.13
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 56882290) is (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is O=C(c1ccon1)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CCNCC2)C1.
What is the InChIKey of (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is ORQLBXPTOLKAQI-GOEBONIOSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17-2-1-14-12-21(18(24)15-6-10-25-20-15)9-5-16(14)22(17)11-13-3-7-19-8-4-13/h6,10,13-14,16,19H,1-5,7-9,11-12H2/t14-,16+/m0/s1.
What are the key properties of (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 56882290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).