ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate

C18H29N3O3 — CID 51110425

IUPACethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1
InChIInChI=1S/C18H29N3O3/c1-2-24-18(23)20-12-10-19(11-13-20)14-17(22)21(16-8-9-16)15-6-4-3-5-7-15/h6,16H,2-5,7-14H2,1H3
InChIKeyXJLMZSRTDUPFKQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.21
Rot. Bonds5

About ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 51110425) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID51110425
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1
InChIInChI=1S/C18H29N3O3/c1-2-24-18(23)20-12-10-19(11-13-20)14-17(22)21(16-8-9-16)15-6-4-3-5-7-15/h6,16H,2-5,7-14H2,1H3
InChIKeyXJLMZSRTDUPFKQ-UHFFFAOYSA-N
XLogP2.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 95311357
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
CID 43237174
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63874630
2-(4-amino-2-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 115313060
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61013485
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060777
2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238312
2-amino-3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385370
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631867
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462455
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 51110425) is ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1.
What is the InChIKey of ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is XJLMZSRTDUPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-2-24-18(23)20-12-10-19(11-13-20)14-17(22)21(16-8-9-16)15-6-4-3-5-7-15/h6,16H,2-5,7-14H2,1H3.
What are the key properties of ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 51110425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).