ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate

C15H24N2O3 — CID 14896509

IUPACethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC#CCN(C)C(C)=O)CC1
InChIInChI=1S/C15H24N2O3/c1-4-20-15(19)14-7-11-17(12-8-14)10-6-5-9-16(3)13(2)18/h14H,4,7-12H2,1-3H3
InChIKeyOFUOFXSFLJPQPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.74
Rot. Bonds4

About ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate

ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate (PubChem CID 14896509) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate
PubChem CID14896509
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC#CCN(C)C(C)=O)CC1
InChIInChI=1S/C15H24N2O3/c1-4-20-15(19)14-7-11-17(12-8-14)10-6-5-9-16(3)13(2)18/h14H,4,7-12H2,1-3H3
InChIKeyOFUOFXSFLJPQPX-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 43213986
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-[[(2S)-2-methyloxiran-2-yl]methyl]piperidine-4-carboxylate
CID 86604813
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate (CID 14896509) is ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC#CCN(C)C(C)=O)CC1.
What is the InChIKey of ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate?
The InChIKey is OFUOFXSFLJPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-20-15(19)14-7-11-17(12-8-14)10-6-5-9-16(3)13(2)18/h14H,4,7-12H2,1-3H3.
What are the key properties of ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate?
ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[acetyl(methyl)amino]but-2-ynyl]piperidine-4-carboxylate is sourced from PubChem (CID 14896509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).