(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone

C16H25N3O2 — CID 115498252

IUPAC(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2cccc(NC(C)C)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-4-21-13-8-10-19(11-9-13)16(20)14-6-5-7-15(18-14)17-12(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H,17,18)
InChIKeyIHWSAGBNPQADNQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds5

About (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone

(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 115498252) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID115498252
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2cccc(NC(C)C)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-4-21-13-8-10-19(11-9-13)16(20)14-6-5-7-15(18-14)17-12(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H,17,18)
InChIKeyIHWSAGBNPQADNQ-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62239996
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
[6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55052183
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone (CID 115498252) is (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone is CCOC1CCN(C(=O)c2cccc(NC(C)C)n2)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is IHWSAGBNPQADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-13-8-10-19(11-9-13)16(20)14-6-5-7-15(18-14)17-12(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H,17,18).
What are the key properties of (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 115498252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).