[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

C23H30ClN5O6 — CID 123431227

IUPAC[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESO=C(NCc1[nH]c(=O)n(OC(=O)N2CCC(CCc3ccc(Cl)cc3)CC2)c1O)N1CCOCC1
InChIInChI=1S/C23H30ClN5O6/c24-18-5-3-16(4-6-18)1-2-17-7-9-28(10-8-17)23(33)35-29-20(30)19(26-22(29)32)15-25-21(31)27-11-13-34-14-12-27/h3-6,17,30H,1-2,7-15H2,(H,25,31)(H,26,32)
InChIKeyHKXPEIUMGWCPER-UHFFFAOYSA-N
MW507.98 g/mol
LogP1.97
Rot. Bonds6

About [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 123431227) has the molecular formula C23H30ClN5O6 and a molecular weight of 507.98 g/mol. Its IUPAC name is [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID123431227
Molecular FormulaC23H30ClN5O6
Molecular Weight507.98 g/mol
Exact Mass507.19
IUPAC Name[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESO=C(NCc1[nH]c(=O)n(OC(=O)N2CCC(CCc3ccc(Cl)cc3)CC2)c1O)N1CCOCC1
InChIInChI=1S/C23H30ClN5O6/c24-18-5-3-16(4-6-18)1-2-17-7-9-28(10-8-17)23(33)35-29-20(30)19(26-22(29)32)15-25-21(31)27-11-13-34-14-12-27/h3-6,17,30H,1-2,7-15H2,(H,25,31)(H,26,32)
InChIKeyHKXPEIUMGWCPER-UHFFFAOYSA-N
XLogP1.97
TPSA129.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(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
[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
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
4-[2-(3,5-dimethoxyphenyl)ethyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-1-carboxamide
CID 42085583
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
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959825
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
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 54482389

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (CID 123431227) is [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is O=C(NCc1[nH]c(=O)n(OC(=O)N2CCC(CCc3ccc(Cl)cc3)CC2)c1O)N1CCOCC1.
What is the InChIKey of [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is HKXPEIUMGWCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O6/c24-18-5-3-16(4-6-18)1-2-17-7-9-28(10-8-17)23(33)35-29-20(30)19(26-22(29)32)15-25-21(31)27-11-13-34-14-12-27/h3-6,17,30H,1-2,7-15H2,(H,25,31)(H,26,32).
What are the key properties of [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
[4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 507.98 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-5-[(morpholine-4-carbonylamino)methyl]-2-oxo-1H-imidazol-3-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 123431227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).