ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate

C14H26N2O3 — CID 64575035

IUPACethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1(CC)CCCNC1
InChIInChI=1S/C14H26N2O3/c1-3-14(8-6-9-15-11-14)13(18)16-10-5-7-12(17)19-4-2/h15H,3-11H2,1-2H3,(H,16,18)
InChIKeyJCEMXRKTGVPFRQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.23
Rot. Bonds7

About ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate

ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate (PubChem CID 64575035) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
PubChem CID64575035
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1(CC)CCCNC1
InChIInChI=1S/C14H26N2O3/c1-3-14(8-6-9-15-11-14)13(18)16-10-5-7-12(17)19-4-2/h15H,3-11H2,1-2H3,(H,16,18)
InChIKeyJCEMXRKTGVPFRQ-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.23
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-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
3-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 63135374
ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
CID 78909794
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
CID 64576191
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate (CID 64575035) is ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)C1(CC)CCCNC1.
What is the InChIKey of ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate?
The InChIKey is JCEMXRKTGVPFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-14(8-6-9-15-11-14)13(18)16-10-5-7-12(17)19-4-2/h15H,3-11H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate?
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 64575035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).