(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone

C17H27N3O — CID 62181639

IUPAC(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ncccc1C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-5-18-15-14(7-6-10-19-15)16(21)20-11-8-13(9-12-20)17(2,3)4/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,18,19)
InChIKeyZQYUIGGVNSUDJP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.41
Rot. Bonds3

About (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone

(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone (PubChem CID 62181639) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
PubChem CID62181639
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ncccc1C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-5-18-15-14(7-6-10-19-15)16(21)20-11-8-13(9-12-20)17(2,3)4/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,18,19)
InChIKeyZQYUIGGVNSUDJP-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
[2-(ethylamino)-3-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370320
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
CID 63978079
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605493
(2-cyclopentylpyrrolidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181418
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
(4-tert-butylpiperidin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344264

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone (CID 62181639) is (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone is CCNc1ncccc1C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone?
The InChIKey is ZQYUIGGVNSUDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-18-15-14(7-6-10-19-15)16(21)20-11-8-13(9-12-20)17(2,3)4/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,18,19).
What are the key properties of (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone?
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone has a molecular weight of 289.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62181639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).