cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

C18H23N3O4 — CID 27213504

IUPACcis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESC[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H23N3O4/c1-13-11-15(13)17(23)25-12-16(22)20-7-9-21(10-8-20)18(24)19-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,24)/t13-,15+/m0/s1
InChIKeyQNZZNVNNIRQMCC-DZGCQCFKSA-N
MW345.40 g/mol
LogP1.56
Rot. Bonds4

About cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate (PubChem CID 27213504) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
PubChem CID27213504
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namecis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
SMILESC[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H23N3O4/c1-13-11-15(13)17(23)25-12-16(22)20-7-9-21(10-8-20)18(24)19-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,24)/t13-,15+/m0/s1
InChIKeyQNZZNVNNIRQMCC-DZGCQCFKSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 27237321
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromothiophene-2-carboxylate
CID 27263141
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylcyclopropane-1-carboxylate
CID 51110303
cis-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230291
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
CID 27212790
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
CID 55443494
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
CID 38702786

Frequently Asked Questions

What is the IUPAC name of cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate (CID 27213504) is cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate is C[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
The InChIKey is QNZZNVNNIRQMCC-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13-11-15(13)17(23)25-12-16(22)20-7-9-21(10-8-20)18(24)19-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,24)/t13-,15+/m0/s1.
What are the key properties of cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate?
cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 27213504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).