(6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one

C27H36N4O5 — CID 93060094

About (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one

(6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one (PubChem CID 93060094) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

• Compound Name: (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one
• PubChem CID: 93060094
• Molecular Formula: C27H36N4O5
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.27
• IUPAC Name: (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one
• SMILES: O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)N1CCC2(CC1)OCCO2
• InChI: InChI=1S/C27H36N4O5/c32-24(28-14-9-27(10-15-28)35-16-17-36-27)19-31-23-18-20(25(33)29-11-3-1-4-12-29)7-8-21(23)30-13-5-2-6-22(30)26(31)34/h7-8,18,22H,1-6,9-17,19H2/t22-/m0/s1
• InChIKey: GISRCKOJBCEPRX-QFIPXVFZSA-N
• XLogP: 2.38
• TPSA: 82.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one?

The IUPAC name of (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one (CID 93060094) is (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one.

What is the SMILES notation for (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one?

The canonical SMILES for (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one is O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)N1CCC2(CC1)OCCO2.

What is the InChIKey of (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one?

The InChIKey is GISRCKOJBCEPRX-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H36N4O5/c32-24(28-14-9-27(10-15-28)35-16-17-36-27)19-31-23-18-20(25(33)29-11-3-1-4-12-29)7-8-21(23)30-13-5-2-6-22(30)26(31)34/h7-8,18,22H,1-6,9-17,19H2/t22-/m0/s1.

What are the key properties of (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one?

(6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one has a molecular weight of 496.61 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6aS)-5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 93060094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).