(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone

C15H22N2O2 — CID 116568171

IUPAC(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
SMILESCCOc1cncc(C(=O)C2(CC)CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-15(5-7-16-8-6-15)14(18)12-9-13(19-4-2)11-17-10-12/h9-11,16H,3-8H2,1-2H3
InChIKeyKABFNVZTAPFSLS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds5

About (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone

(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone (PubChem CID 116568171) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
PubChem CID116568171
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
SMILESCCOc1cncc(C(=O)C2(CC)CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-15(5-7-16-8-6-15)14(18)12-9-13(19-4-2)11-17-10-12/h9-11,16H,3-8H2,1-2H3
InChIKeyKABFNVZTAPFSLS-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
2-(1,4-diazepan-1-yl)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116565638
2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 116680661
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 116608155
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone (CID 116568171) is (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone is CCOc1cncc(C(=O)C2(CC)CCNCC2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone?
The InChIKey is KABFNVZTAPFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(5-7-16-8-6-15)14(18)12-9-13(19-4-2)11-17-10-12/h9-11,16H,3-8H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone?
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 116568171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).