ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate

C16H28N4O4 — CID 109133678

IUPACethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCCN(C)C)CC1
InChIInChI=1S/C16H28N4O4/c1-4-24-16(23)20-9-7-19(8-10-20)15(22)13-11-12(13)14(21)17-5-6-18(2)3/h12-13H,4-11H2,1-3H3,(H,17,21)
InChIKeyBOLFTRBOABNNCP-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.40
Rot. Bonds6

About ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 109133678) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID109133678
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Nameethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCCN(C)C)CC1
InChIInChI=1S/C16H28N4O4/c1-4-24-16(23)20-9-7-19(8-10-20)15(22)13-11-12(13)14(21)17-5-6-18(2)3/h12-13H,4-11H2,1-3H3,(H,17,21)
InChIKeyBOLFTRBOABNNCP-UHFFFAOYSA-N
XLogP-0.40
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31011883
Tert-butyl 4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31364779
Ethyl 4-[4-[[2-(cyclopropanecarbonylamino)acetyl]amino]butanoylamino]piperidine-1-carboxylate
CID 46457323
Ethyl 4-(cyclopropylmethylcarbamoyl)piperidine-1-carboxylate
CID 47021845
Ethyl 4-[3-(aminomethyl)pentanoyl]piperazine-1-carboxylate
CID 81087675
Ethyl 4-(5-amino-4-methylpentanoyl)piperazine-1-carboxylate
CID 82012256
1-N-(2-morpholin-4-ylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130433
2-(4-methylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130435
2-(4-ethylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130436
2-(4-formylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130437
2-(4-acetylpiperazine-1-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130438
Ethyl 4-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109130477

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate (CID 109133678) is ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCCN(C)C)CC1.
What is the InChIKey of ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is BOLFTRBOABNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-4-24-16(23)20-9-7-19(8-10-20)15(22)13-11-12(13)14(21)17-5-6-18(2)3/h12-13H,4-11H2,1-3H3,(H,17,21).
What are the key properties of ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109133678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).