ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate

C13H24N2O3 — CID 64576191

IUPACethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-3-18-11(16)5-4-8-15-12(17)13(2)6-9-14-10-7-13/h14H,3-10H2,1-2H3,(H,15,17)
InChIKeyXKUCGTLSAIKGNC-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.84
Rot. Bonds6

About ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate

ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate (PubChem CID 64576191) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
PubChem CID64576191
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-3-18-11(16)5-4-8-15-12(17)13(2)6-9-14-10-7-13/h14H,3-10H2,1-2H3,(H,15,17)
InChIKeyXKUCGTLSAIKGNC-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.84
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-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
CID 78909794
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate
CID 63122388
N-(4-hydroxybutyl)-4-methylpiperidine-4-carboxamide
CID 106842133
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 63122628
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
CID 115760353
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate (CID 64576191) is ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)C1(C)CCNCC1.
What is the InChIKey of ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate?
The InChIKey is XKUCGTLSAIKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-18-11(16)5-4-8-15-12(17)13(2)6-9-14-10-7-13/h14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate?
ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate has a molecular weight of 256.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate is sourced from PubChem (CID 64576191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).