ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate

C15H27N3O4 — CID 31011883

IUPACethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCCNC(=O)C(C)C)CC1
InChIInChI=1S/C15H27N3O4/c1-4-22-15(21)18-9-5-12(6-10-18)14(20)17-8-7-16-13(19)11(2)3/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUUNYEHQGWGMNGD-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.74
Rot. Bonds6

About ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate

ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 31011883) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID31011883
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Nameethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCCNC(=O)C(C)C)CC1
InChIInChI=1S/C15H27N3O4/c1-4-22-15(21)18-9-5-12(6-10-18)14(20)17-8-7-16-13(19)11(2)3/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUUNYEHQGWGMNGD-UHFFFAOYSA-N
XLogP0.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056358
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-[[N'-methyl-N-[2-(2-methylpropanoylamino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328360
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067911
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate (CID 31011883) is ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NCCNC(=O)C(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is UUNYEHQGWGMNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-4-22-15(21)18-9-5-12(6-10-18)14(20)17-8-7-16-13(19)11(2)3/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate?
ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 31011883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).