ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C19H32N4O4 — CID 108974118

IUPACethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(C(=O)N3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C19H32N4O4/c1-3-21-11-13-22(14-12-21)17(25)19(7-8-19)16(24)20-15-5-9-23(10-6-15)18(26)27-4-2/h15H,3-14H2,1-2H3,(H,20,24)
InChIKeySTZDHPRBNGULOL-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.67
Rot. Bonds5

About ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 108974118) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID108974118
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Nameethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(C(=O)N3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C19H32N4O4/c1-3-21-11-13-22(14-12-21)17(25)19(7-8-19)16(24)20-15-5-9-23(10-6-15)18(26)27-4-2/h15H,3-14H2,1-2H3,(H,20,24)
InChIKeySTZDHPRBNGULOL-UHFFFAOYSA-N
XLogP0.67
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[1-(cyclopentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971804
ethyl 4-[(1-carbamothioylcyclopropanecarbonyl)amino]piperidine-1-carboxylate
CID 80592308
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[1-(tert-butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978680
ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109017486
ethyl 4-[[1-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108975803
ethyl 4-[1-(butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971033
ethyl 4-[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971227
ethyl 4-[[N'-[4-(4-ethylpiperazin-1-yl)butyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111060379
ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978683

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 108974118) is ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2(C(=O)N3CCN(CC)CC3)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is STZDHPRBNGULOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-3-21-11-13-22(14-12-21)17(25)19(7-8-19)16(24)20-15-5-9-23(10-6-15)18(26)27-4-2/h15H,3-14H2,1-2H3,(H,20,24).
What are the key properties of ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-ethylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108974118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).