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

C17H27N3O — CID 62232698

IUPAC[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCNc1cccc(C(=O)N2CCC(CCC)CC2)n1
InChIInChI=1S/C17H27N3O/c1-3-6-14-9-12-20(13-10-14)17(21)15-7-5-8-16(19-15)18-11-4-2/h5,7-8,14H,3-4,6,9-13H2,1-2H3,(H,18,19)
InChIKeyKWRNKFFOKMGBIA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds6

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

[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 62232698) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
PubChem CID62232698
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCNc1cccc(C(=O)N2CCC(CCC)CC2)n1
InChIInChI=1S/C17H27N3O/c1-3-6-14-9-12-20(13-10-14)17(21)15-7-5-8-16(19-15)18-11-4-2/h5,7-8,14H,3-4,6,9-13H2,1-2H3,(H,18,19)
InChIKeyKWRNKFFOKMGBIA-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
(4-ethoxypiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62239996
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
[6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55052183
(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
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 65322102
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 62239964
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102

Frequently Asked Questions

What is the IUPAC name of [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone (CID 62232698) is [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone is CCCNc1cccc(C(=O)N2CCC(CCC)CC2)n1.
What is the InChIKey of [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is KWRNKFFOKMGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-6-14-9-12-20(13-10-14)17(21)15-7-5-8-16(19-15)18-11-4-2/h5,7-8,14H,3-4,6,9-13H2,1-2H3,(H,18,19).
What are the key properties of [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
[6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(propylamino)-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 62232698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).