ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate

C15H20N2O3 — CID 66656004

IUPACethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(C(C)=O)cn2)CC1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)12-6-8-17(9-7-12)14-5-4-13(10-16-14)11(2)18/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyUBRRGIYWDUUEOQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.06
Rot. Bonds4

About ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate

ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 66656004) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID66656004
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(C(C)=O)cn2)CC1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)12-6-8-17(9-7-12)14-5-4-13(10-16-14)11(2)18/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyUBRRGIYWDUUEOQ-UHFFFAOYSA-N
XLogP2.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-[5-[(3-methyl-4-phenylphenyl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318171
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 1-[5-[[3-(4-methoxyphenyl)-4-methylphenyl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318099
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate (CID 66656004) is ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(C(C)=O)cn2)CC1.
What is the InChIKey of ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is UBRRGIYWDUUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-15(19)12-6-8-17(9-7-12)14-5-4-13(10-16-14)11(2)18/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 66656004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).