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

C16H25N3O2 — CID 62239996

IUPAC(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCC(OCC)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-3-10-17-15-7-5-6-14(18-15)16(20)19-11-8-13(9-12-19)21-4-2/h5-7,13H,3-4,8-12H2,1-2H3,(H,17,18)
InChIKeyUGXONFUVASNYAT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.54
Rot. Bonds6

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

(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (PubChem CID 62239996) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
PubChem CID62239996
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1cccc(C(=O)N2CCC(OCC)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-3-10-17-15-7-5-6-14(18-15)16(20)19-11-8-13(9-12-19)21-4-2/h5-7,13H,3-4,8-12H2,1-2H3,(H,17,18)
InChIKeyUGXONFUVASNYAT-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 62232698
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
(3,4-dimethylpyrrolidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 79180595
(4-hydroxy-4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 81109407
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62966972
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
[6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55052183
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 65322102
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone (CID 62239996) is (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone is CCCNc1cccc(C(=O)N2CCC(OCC)CC2)n1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
The InChIKey is UGXONFUVASNYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-10-17-15-7-5-6-14(18-15)16(20)19-11-8-13(9-12-19)21-4-2/h5-7,13H,3-4,8-12H2,1-2H3,(H,17,18).
What are the key properties of (4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone?
(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone has a molecular weight of 291.40 g/mol, XLogP of 2.54, 6 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-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 62239996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).