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

C16H25N3O — CID 105071000

IUPAC[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccncc1NCC
InChIInChI=1S/C16H25N3O/c1-3-7-13-8-5-6-11-19(13)16(20)14-9-10-17-12-15(14)18-4-2/h9-10,12-13,18H,3-8,11H2,1-2H3
InChIKeyHTVDUMYWAFMCAI-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds5

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

[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 105071000) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
PubChem CID105071000
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccncc1NCC
InChIInChI=1S/C16H25N3O/c1-3-7-13-8-5-6-11-19(13)16(20)14-9-10-17-12-15(14)18-4-2/h9-10,12-13,18H,3-8,11H2,1-2H3
InChIKeyHTVDUMYWAFMCAI-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
(2,5-dimethylpiperidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070518
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
[2-(2-chloroethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443059
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone (CID 105071000) is [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1ccncc1NCC.
What is the InChIKey of [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is HTVDUMYWAFMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-7-13-8-5-6-11-19(13)16(20)14-9-10-17-12-15(14)18-4-2/h9-10,12-13,18H,3-8,11H2,1-2H3.
What are the key properties of [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 105071000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).