[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate

C17H22ClN3O4 — CID 154274165

IUPAC[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate
SMILESO=C(OCc1cc(Cl)ccc1C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C17H22ClN3O4/c18-14-1-2-15(16(22)20-7-9-24-10-8-20)13(11-14)12-25-17(23)21-5-3-19-4-6-21/h1-2,11,19H,3-10,12H2
InChIKeyWVLYPGSBHVZNBF-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.35
Rot. Bonds3

About [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate

[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate (PubChem CID 154274165) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate.

Molecular Properties

Compound Name[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate
PubChem CID154274165
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate
SMILESO=C(OCc1cc(Cl)ccc1C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C17H22ClN3O4/c18-14-1-2-15(16(22)20-7-9-24-10-8-20)13(11-14)12-25-17(23)21-5-3-19-4-6-21/h1-2,11,19H,3-10,12H2
InChIKeyWVLYPGSBHVZNBF-UHFFFAOYSA-N
XLogP1.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
(4-chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(4-chloro-2-sulfanylphenyl)-piperazin-1-ylmethanone
CID 82512015
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(4-chloro-2-morpholin-4-ylphenyl)methyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 141435312
tert-butyl 4-[[4-chloro-2-(morpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxylate;5-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid;morpholine
CID 158284628
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3007422
(4-chloro-2-nitrophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400657
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate?
The IUPAC name of [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate (CID 154274165) is [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate.
What is the SMILES notation for [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate?
The canonical SMILES for [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate is O=C(OCc1cc(Cl)ccc1C(=O)N1CCOCC1)N1CCNCC1.
What is the InChIKey of [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate?
The InChIKey is WVLYPGSBHVZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c18-14-1-2-15(16(22)20-7-9-24-10-8-20)13(11-14)12-25-17(23)21-5-3-19-4-6-21/h1-2,11,19H,3-10,12H2.
What are the key properties of [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate?
[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate has a molecular weight of 367.83 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate is sourced from PubChem (CID 154274165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).