[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate

C29H31Cl2N3O9 — CID 153248648

IUPAC[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate
SMILESO=C(c1cc(OC(=O)N2CCOCC2)c(OC(=O)N2CCCCC2)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C29H31Cl2N3O9/c30-19-4-5-23(41-28(37)33-8-12-39-13-9-33)21(16-19)26(35)20-17-24(42-29(38)34-10-14-40-15-11-34)25(18-22(20)31)43-27(36)32-6-2-1-3-7-32/h4-5,16-18H,1-3,6-15H2
InChIKeyWSWMTDIIFDUCIO-UHFFFAOYSA-N
MW636.49 g/mol
LogP4.87
Rot. Bonds5

About [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate

[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate (PubChem CID 153248648) has the molecular formula C29H31Cl2N3O9 and a molecular weight of 636.49 g/mol. Its IUPAC name is [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate
PubChem CID153248648
Molecular FormulaC29H31Cl2N3O9
Molecular Weight636.49 g/mol
Exact Mass635.14
IUPAC Name[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate
SMILESO=C(c1cc(OC(=O)N2CCOCC2)c(OC(=O)N2CCCCC2)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C29H31Cl2N3O9/c30-19-4-5-23(41-28(37)33-8-12-39-13-9-33)21(16-19)26(35)20-17-24(42-29(38)34-10-14-40-15-11-34)25(18-22(20)31)43-27(36)32-6-2-1-3-7-32/h4-5,16-18H,1-3,6-15H2
InChIKeyWSWMTDIIFDUCIO-UHFFFAOYSA-N
XLogP4.87
TPSA124.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate with MolForge

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Related Compounds

[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate
CID 141454355
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
[4-chloro-2-(morpholine-4-carbothioyl)phenyl] 2,5-dichlorobenzoate
CID 1329344
[4-chloro-2-[3-(4-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate
CID 2918341
[4-chloro-2-(morpholine-4-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate
CID 1326367
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
(5-bromo-2-hydroxyphenyl) morpholine-4-carboxylate
CID 142688140
2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3007422
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
(4-chloro-2-methylphenyl) piperazine-1-carboxylate
CID 82298956

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate (CID 153248648) is [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate is O=C(c1cc(OC(=O)N2CCOCC2)c(OC(=O)N2CCCCC2)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate?
The InChIKey is WSWMTDIIFDUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2N3O9/c30-19-4-5-23(41-28(37)33-8-12-39-13-9-33)21(16-19)26(35)20-17-24(42-29(38)34-10-14-40-15-11-34)25(18-22(20)31)43-27(36)32-6-2-1-3-7-32/h4-5,16-18H,1-3,6-15H2.
What are the key properties of [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate?
[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate has a molecular weight of 636.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 153248648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).