(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

C16H25N3O — CID 81243378

IUPAC(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCCC(CC)C1
InChIInChI=1S/C16H25N3O/c1-3-8-18-15-7-9-17-11-14(15)16(20)19-10-5-6-13(4-2)12-19/h7,9,11,13H,3-6,8,10,12H2,1-2H3,(H,17,18)
InChIKeyFLHZQMIOVULYBT-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds5

About (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81243378) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81243378
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCCC(CC)C1
InChIInChI=1S/C16H25N3O/c1-3-8-18-15-7-9-17-11-14(15)16(20)19-10-5-6-13(4-2)12-19/h7,9,11,13H,3-6,8,10,12H2,1-2H3,(H,17,18)
InChIKeyFLHZQMIOVULYBT-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 81243378) is (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCCC(CC)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is FLHZQMIOVULYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-18-15-7-9-17-11-14(15)16(20)19-10-5-6-13(4-2)12-19/h7,9,11,13H,3-6,8,10,12H2,1-2H3,(H,17,18).
What are the key properties of (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81243378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).