2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione

C31H40N4O2 — CID 10163990

IUPAC2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione
SMILESO=C1C2CCCN2C(=O)C2(CCN(CCc3ccccc3)CC2)N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H40N4O2/c36-29-28-12-7-18-34(28)30(37)31(16-22-32(23-17-31)19-13-25-8-3-1-4-9-25)35(29)27-14-20-33(21-15-27)24-26-10-5-2-6-11-26/h1-6,8-11,27-28H,7,12-24H2
InChIKeyXLTJOJAMKBBIAO-UHFFFAOYSA-N
MW500.69 g/mol
LogP3.56
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione

2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione (PubChem CID 10163990) has the molecular formula C31H40N4O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione
PubChem CID10163990
Molecular FormulaC31H40N4O2
Molecular Weight500.69 g/mol
Exact Mass500.32
IUPAC Name2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione
SMILESO=C1C2CCCN2C(=O)C2(CCN(CCc3ccccc3)CC2)N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H40N4O2/c36-29-28-12-7-18-34(28)30(37)31(16-22-32(23-17-31)19-13-25-8-3-1-4-9-25)35(29)27-14-20-33(21-15-27)24-26-10-5-2-6-11-26/h1-6,8-11,27-28H,7,12-24H2
InChIKeyXLTJOJAMKBBIAO-UHFFFAOYSA-N
XLogP3.56
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione with MolForge

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Related Compounds

(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
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(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3082463
6-benzyl-3-methyl-4-oxa-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione
CID 21015002
[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 23911512
3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084251
5-benzyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 13342088
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
3-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084269
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
(3S,9aS)-3-benzyl-2-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 102263386
4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione (CID 10163990) is 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione is O=C1C2CCCN2C(=O)C2(CCN(CCc3ccccc3)CC2)N1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione?
The InChIKey is XLTJOJAMKBBIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O2/c36-29-28-12-7-18-34(28)30(37)31(16-22-32(23-17-31)19-13-25-8-3-1-4-9-25)35(29)27-14-20-33(21-15-27)24-26-10-5-2-6-11-26/h1-6,8-11,27-28H,7,12-24H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione?
2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione has a molecular weight of 500.69 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1'-(2-phenylethyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione is sourced from PubChem (CID 10163990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).