ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate

C14H26N2O3 — CID 64576385

IUPACethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)CCC1CCCCN1
InChIInChI=1S/C14H26N2O3/c1-2-19-14(18)7-5-11-16-13(17)9-8-12-6-3-4-10-15-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyHIASIOTWNPCBMG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds8

About ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate

ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate (PubChem CID 64576385) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
PubChem CID64576385
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)CCC1CCCCN1
InChIInChI=1S/C14H26N2O3/c1-2-19-14(18)7-5-11-16-13(17)9-8-12-6-3-4-10-15-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyHIASIOTWNPCBMG-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
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-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
N-[3-(diethylamino)propyl]-3-piperidin-2-ylpropanamide
CID 62210496
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
ethyl 3-(2-piperidin-2-ylethylsulfanyl)propanoate
CID 134086079
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-2-ylpropanamide
CID 62211661
ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate
CID 79538171
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
CID 62211487

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate?
The IUPAC name of ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate (CID 64576385) is ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate.
What is the SMILES notation for ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate?
The canonical SMILES for ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate is CCOC(=O)CCCNC(=O)CCC1CCCCN1.
What is the InChIKey of ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate?
The InChIKey is HIASIOTWNPCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-19-14(18)7-5-11-16-13(17)9-8-12-6-3-4-10-15-12/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate?
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate is sourced from PubChem (CID 64576385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).