ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate

C16H28N2O3 — CID 115737538

IUPACethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)CC1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)14-12-17-9-10-18(14)15(19)11-13-7-5-3-4-6-8-13/h13-14,17H,2-12H2,1H3
InChIKeyVBLWJXYVLNDZFF-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds4

About ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate

ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate (PubChem CID 115737538) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
PubChem CID115737538
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)CC1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)14-12-17-9-10-18(14)15(19)11-13-7-5-3-4-6-8-13/h13-14,17H,2-12H2,1H3
InChIKeyVBLWJXYVLNDZFF-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
CID 107180851
ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
CID 79162464
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631
ethyl 1-(2,2-dimethylcyclopentyl)piperazine-2-carboxylate
CID 79863119
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate
CID 102655936
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate (CID 115737538) is ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(=O)CC1CCCCCC1.
What is the InChIKey of ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate?
The InChIKey is VBLWJXYVLNDZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-16(20)14-12-17-9-10-18(14)15(19)11-13-7-5-3-4-6-8-13/h13-14,17H,2-12H2,1H3.
What are the key properties of ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate?
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate is sourced from PubChem (CID 115737538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).