ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate

C19H36N4O3 — CID 52656868

IUPACethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCCCN2CCN(CC)CC2)CC1
InChIInChI=1S/C19H36N4O3/c1-3-21-13-15-22(16-14-21)10-6-5-9-20-19(25)23-11-7-17(8-12-23)18(24)26-4-2/h17H,3-16H2,1-2H3,(H,20,25)
InChIKeyADIZVYSBVYLVJJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.39
Rot. Bonds8

About ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate (PubChem CID 52656868) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate
PubChem CID52656868
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC Nameethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCCCN2CCN(CC)CC2)CC1
InChIInChI=1S/C19H36N4O3/c1-3-21-13-15-22(16-14-21)10-6-5-9-20-19(25)23-11-7-17(8-12-23)18(24)26-4-2/h17H,3-16H2,1-2H3,(H,20,25)
InChIKeyADIZVYSBVYLVJJ-UHFFFAOYSA-N
XLogP1.39
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate (CID 52656868) is ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCCCCN2CCN(CC)CC2)CC1.
What is the InChIKey of ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is ADIZVYSBVYLVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-3-21-13-15-22(16-14-21)10-6-5-9-20-19(25)23-11-7-17(8-12-23)18(24)26-4-2/h17H,3-16H2,1-2H3,(H,20,25).
What are the key properties of ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(4-ethylpiperazin-1-yl)butylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 52656868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).