1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone

C15H24N4O — CID 62470561

IUPAC1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCCCNc1ncccc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C15H24N4O/c1-3-6-16-15-14(5-4-7-17-15)12-18-8-10-19(11-9-18)13(2)20/h4-5,7H,3,6,8-12H2,1-2H3,(H,16,17)
InChIKeyXTNKWYJMUDGSDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone (PubChem CID 62470561) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
PubChem CID62470561
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCCCNc1ncccc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C15H24N4O/c1-3-6-16-15-14(5-4-7-17-15)12-18-8-10-19(11-9-18)13(2)20/h4-5,7H,3,6,8-12H2,1-2H3,(H,16,17)
InChIKeyXTNKWYJMUDGSDB-UHFFFAOYSA-N
XLogP1.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propylpyridin-2-amine
CID 63024773
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 62470053
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
CID 79164091
methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471191

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone (CID 62470561) is 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone is CCCNc1ncccc1CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is XTNKWYJMUDGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-16-15-14(5-4-7-17-15)12-18-8-10-19(11-9-18)13(2)20/h4-5,7H,3,6,8-12H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62470561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).