ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate

C14H24N2O3 — CID 750615

IUPACethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyCIAHBFFQTNPHDS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.87
Rot. Bonds2

About ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate

ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate (PubChem CID 750615) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
PubChem CID750615
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyCIAHBFFQTNPHDS-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl azacycloundecane-1-carboxylate
CID 67670496
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
ethyl 4-[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 110344239
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894
ethyl 4-(azepane-2-carbonyl)piperazine-1-carboxylate
CID 64563459
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate (CID 750615) is ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate?
The InChIKey is CIAHBFFQTNPHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate?
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 750615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).