[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C13H19N3O — CID 81236663

IUPAC[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCNc1ccncc1C(=O)N1CCCCC1
InChIInChI=1S/C13H19N3O/c1-2-15-12-6-7-14-10-11(12)13(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyMBCNGXUIQUQQAS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds3

About [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 81236663) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID81236663
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCNc1ccncc1C(=O)N1CCCCC1
InChIInChI=1S/C13H19N3O/c1-2-15-12-6-7-14-10-11(12)13(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyMBCNGXUIQUQQAS-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
(2,6-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236942
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 81236663) is [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is CCNc1ccncc1C(=O)N1CCCCC1.
What is the InChIKey of [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MBCNGXUIQUQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-15-12-6-7-14-10-11(12)13(17)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 81236663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).