(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate

C24H27N5O4 — CID 177183533

IUPAC(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate
SMILESO=C(ON1C(=O)C2CN(c3cccnc3)CCN2C1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N5O4/c30-22-21-17-27(20-7-4-10-25-16-20)13-14-28(21)23(31)29(22)33-24(32)26-11-8-19(9-12-26)15-18-5-2-1-3-6-18/h1-7,10,16,19,21H,8-9,11-15,17H2
InChIKeyBXLLLINZSNEXQB-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.54
Rot. Bonds4

About (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate

(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate (PubChem CID 177183533) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate
PubChem CID177183533
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate
SMILESO=C(ON1C(=O)C2CN(c3cccnc3)CCN2C1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N5O4/c30-22-21-17-27(20-7-4-10-25-16-20)13-14-28(21)23(31)29(22)33-24(32)26-11-8-19(9-12-26)15-18-5-2-1-3-6-18/h1-7,10,16,19,21H,8-9,11-15,17H2
InChIKeyBXLLLINZSNEXQB-UHFFFAOYSA-N
XLogP2.54
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(6-methyl-1,3-dioxopyrrolo[1,2-c]imidazol-2-yl) 4-benzylpiperidine-1-carboxylate
CID 177183632
4-(4-benzylpiperidine-1-carbonyl)-1-phenylimidazolidin-2-one
CID 134795753
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
(E)-1-(3-benzylpyrrolidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 75407724
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate?
The IUPAC name of (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate (CID 177183533) is (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate is O=C(ON1C(=O)C2CN(c3cccnc3)CCN2C1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate?
The InChIKey is BXLLLINZSNEXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c30-22-21-17-27(20-7-4-10-25-16-20)13-14-28(21)23(31)29(22)33-24(32)26-11-8-19(9-12-26)15-18-5-2-1-3-6-18/h1-7,10,16,19,21H,8-9,11-15,17H2.
What are the key properties of (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate?
(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 177183533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).