2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C22H32N4O3 — CID 3575848

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
InChIInChI=1S/C22H32N4O3/c1-29-20-9-3-2-7-18(20)24-15-13-23(14-16-24)10-6-11-25-17-21(27)26-12-5-4-8-19(26)22(25)28/h2-3,7,9,19H,4-6,8,10-17H2,1H3
InChIKeySCDJWHCTLZJPMP-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.43
Rot. Bonds6

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 3575848) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID3575848
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
InChIInChI=1S/C22H32N4O3/c1-29-20-9-3-2-7-18(20)24-15-13-23(14-16-24)10-6-11-25-17-21(27)26-12-5-4-8-19(26)22(25)28/h2-3,7,9,19H,4-6,8,10-17H2,1H3
InChIKeySCDJWHCTLZJPMP-UHFFFAOYSA-N
XLogP1.43
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

Rwj-69736
CID 9866614
Umespirone
CID 70695676
Rwj-38063
CID 9887378
1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 10340555
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decan-7-one
CID 11303253
2-[4-[4-(2-butoxyphenyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;hydrochloride
CID 52942944
2-Methyl-4-(2-oxo-2-piperidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one
CID 3224947
2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 4079627
2-{4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 4165402
1-(2-Methoxy-phenyl)-3-methyl-piperazin-2-one hydrochloride
CID 24747043
2-[4-[4-(2-butoxyphenyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 10252814

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 3575848) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is COc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is SCDJWHCTLZJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-29-20-9-3-2-7-18(20)24-15-13-23(14-16-24)10-6-11-25-17-21(27)26-12-5-4-8-19(26)22(25)28/h2-3,7,9,19H,4-6,8,10-17H2,1H3.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 400.52 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 3575848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).