(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

C20H25ClN4O4 — CID 123385269

IUPAC(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESO=C(On1c(O)c2n(c1=O)CCNC2)N1CCC(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O4/c21-16-5-3-14(4-6-16)1-2-15-7-10-23(11-8-15)20(28)29-25-18(26)17-13-22-9-12-24(17)19(25)27/h3-6,15,22,26H,1-2,7-13H2
InChIKeyOXBQHZCBHANCRY-UHFFFAOYSA-N
MW420.90 g/mol
LogP2.01
Rot. Bonds4

About (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 123385269) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID123385269
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Name(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESO=C(On1c(O)c2n(c1=O)CCNC2)N1CCC(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O4/c21-16-5-3-14(4-6-16)1-2-15-7-10-23(11-8-15)20(28)29-25-18(26)17-13-22-9-12-24(17)19(25)27/h3-6,15,22,26H,1-2,7-13H2
InChIKeyOXBQHZCBHANCRY-UHFFFAOYSA-N
XLogP2.01
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-hydroxy-3-oxo-7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 123542734
[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 123613410
[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 123431227
tert-butyl 2-[4-[2-(4-chlorophenyl)ethyl]piperidine-1-carbonyl]oxy-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
CID 71710925
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (CID 123385269) is (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is O=C(On1c(O)c2n(c1=O)CCNC2)N1CCC(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is OXBQHZCBHANCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4/c21-16-5-3-14(4-6-16)1-2-15-7-10-23(11-8-15)20(28)29-25-18(26)17-13-22-9-12-24(17)19(25)27/h3-6,15,22,26H,1-2,7-13H2.
What are the key properties of (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 420.90 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 123385269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).