ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate

C20H33N3O3 — CID 2903596

IUPACethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(CC3CC=CCC3)CC2)CC1
InChIInChI=1S/C20H33N3O3/c1-2-26-20(25)23-14-12-22(13-15-23)19(24)18-8-10-21(11-9-18)16-17-6-4-3-5-7-17/h3-4,17-18H,2,5-16H2,1H3
InChIKeyINFCJYYBCFIXHX-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.36
Rot. Bonds4

About ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 2903596) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID2903596
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nameethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(CC3CC=CCC3)CC2)CC1
InChIInChI=1S/C20H33N3O3/c1-2-26-20(25)23-14-12-22(13-15-23)19(24)18-8-10-21(11-9-18)16-17-6-4-3-5-7-17/h3-4,17-18H,2,5-16H2,1H3
InChIKeyINFCJYYBCFIXHX-UHFFFAOYSA-N
XLogP2.36
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate (CID 2903596) is ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(CC3CC=CCC3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is INFCJYYBCFIXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-2-26-20(25)23-14-12-22(13-15-23)19(24)18-8-10-21(11-9-18)16-17-6-4-3-5-7-17/h3-4,17-18H,2,5-16H2,1H3.
What are the key properties of ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(cyclohex-3-en-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 2903596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).