benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate

C24H36N4O4 — CID 156856737

IUPACbenzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate
SMILESO=C1CCCCN1C[C@H](CN1CCOCC1)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H36N4O4/c29-23-8-4-5-9-28(23)19-22(18-25-14-16-31-17-15-25)26-10-12-27(13-11-26)24(30)32-20-21-6-2-1-3-7-21/h1-3,6-7,22H,4-5,8-20H2/t22-/m0/s1
InChIKeyIBRXFGNIJAXNSD-QFIPXVFZSA-N
MW444.58 g/mol
LogP1.65
Rot. Bonds7

About benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate

benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate (PubChem CID 156856737) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate
PubChem CID156856737
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Namebenzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate
SMILESO=C1CCCCN1C[C@H](CN1CCOCC1)N1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H36N4O4/c29-23-8-4-5-9-28(23)19-22(18-25-14-16-31-17-15-25)26-10-12-27(13-11-26)24(30)32-20-21-6-2-1-3-7-21/h1-3,6-7,22H,4-5,8-20H2/t22-/m0/s1
InChIKeyIBRXFGNIJAXNSD-QFIPXVFZSA-N
XLogP1.65
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856661
benzyl 4-[(2S)-1-azido-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856720
benzyl 4-[(2S)-1-(4-methylpyrazol-1-yl)-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856746
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 166610780
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 69162546
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
CID 70929123
benzyl 4-[2-amino-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylate
CID 19796360
benzyl 4-(3-oxopentan-2-yl)piperazine-1-carboxylate
CID 90862168

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate (CID 156856737) is benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate is O=C1CCCCN1C[C@H](CN1CCOCC1)N1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate?
The InChIKey is IBRXFGNIJAXNSD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H36N4O4/c29-23-8-4-5-9-28(23)19-22(18-25-14-16-31-17-15-25)26-10-12-27(13-11-26)24(30)32-20-21-6-2-1-3-7-21/h1-3,6-7,22H,4-5,8-20H2/t22-/m0/s1.
What are the key properties of benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate?
benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate has a molecular weight of 444.58 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 156856737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).