ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C18H32N4O4 — CID 109134001

IUPACethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C18H32N4O4/c1-4-26-18(25)22-10-6-13(7-11-22)20-17(24)15-12-14(15)16(23)19-8-5-9-21(2)3/h13-15H,4-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyYUQLIYCAGPQJNO-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.43
Rot. Bonds8

About ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109134001) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109134001
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Nameethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C18H32N4O4/c1-4-26-18(25)22-10-6-13(7-11-22)20-17(24)15-12-14(15)16(23)19-8-5-9-21(2)3/h13-15H,4-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyYUQLIYCAGPQJNO-UHFFFAOYSA-N
XLogP0.43
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(butylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109131267
ethyl 4-[[N-[3-(dimethylamino)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328247
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678
ethyl 4-[[N-[7-(dimethylamino)heptyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327668
ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109133496
ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138897
ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109132417
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109115992
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108994613
ethyl 4-(ethylcarbamothioylamino)piperidine-1-carboxylate
CID 113218404
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[(N-butyl-N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 111328242

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 109134001) is ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC2C(=O)NCCCN(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is YUQLIYCAGPQJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-4-26-18(25)22-10-6-13(7-11-22)20-17(24)15-12-14(15)16(23)19-8-5-9-21(2)3/h13-15H,4-12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109134001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).