2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C24H32ClN5O4 — CID 118525696

IUPAC2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(N1CCOCC1)N1CCN2C(=O)N(N3CCC(CCc4ccc(Cl)cc4)CC3)C(=O)C2C1
InChIInChI=1S/C24H32ClN5O4/c25-20-5-3-18(4-6-20)1-2-19-7-9-28(10-8-19)30-22(31)21-17-27(11-12-29(21)24(30)33)23(32)26-13-15-34-16-14-26/h3-6,19,21H,1-2,7-17H2
InChIKeyZXKWEFNQRKGTJB-UHFFFAOYSA-N
MW490.00 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 118525696) has the molecular formula C24H32ClN5O4 and a molecular weight of 490.00 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID118525696
Molecular FormulaC24H32ClN5O4
Molecular Weight490.00 g/mol
Exact Mass489.21
IUPAC Name2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(N1CCOCC1)N1CCN2C(=O)N(N3CCC(CCc4ccc(Cl)cc4)CC3)C(=O)C2C1
InChIInChI=1S/C24H32ClN5O4/c25-20-5-3-18(4-6-20)1-2-19-7-9-28(10-8-19)30-22(31)21-17-27(11-12-29(21)24(30)33)23(32)26-13-15-34-16-14-26/h3-6,19,21H,1-2,7-17H2
InChIKeyZXKWEFNQRKGTJB-UHFFFAOYSA-N
XLogP2.30
TPSA76.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7161705
2-[[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-hydroxymethoxy]-7-(4-fluoro-3-nitrobenzoyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 129310227
(8aR)-2-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 9419674
[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 123431227
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
4-[2-(oxan-4-yl)ethyl]benzoic acid
CID 134814520
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
CID 118535292
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 118525696) is 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C(N1CCOCC1)N1CCN2C(=O)N(N3CCC(CCc4ccc(Cl)cc4)CC3)C(=O)C2C1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is ZXKWEFNQRKGTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O4/c25-20-5-3-18(4-6-20)1-2-19-7-9-28(10-8-19)30-22(31)21-17-27(11-12-29(21)24(30)33)23(32)26-13-15-34-16-14-26/h3-6,19,21H,1-2,7-17H2.
What are the key properties of 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 490.00 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 118525696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).