4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one

C13H20N4O — CID 112584096

IUPAC4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
SMILESCCC(NC)c1ccc(N2CCNC(=O)C2)cn1
InChIInChI=1S/C13H20N4O/c1-3-11(14-2)12-5-4-10(8-16-12)17-7-6-15-13(18)9-17/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyKZWPTVTZCKONEE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.69
Rot. Bonds4

About 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one

4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one (PubChem CID 112584096) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
PubChem CID112584096
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
SMILESCCC(NC)c1ccc(N2CCNC(=O)C2)cn1
InChIInChI=1S/C13H20N4O/c1-3-11(14-2)12-5-4-10(8-16-12)17-7-6-15-13(18)9-17/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyKZWPTVTZCKONEE-UHFFFAOYSA-N
XLogP0.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
CID 112584497
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
CID 83131847
1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
CID 115939578
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939349
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
CID 115939594
1-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-5-one
CID 83127452
4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione
CID 83127640
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one (CID 112584096) is 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one is CCC(NC)c1ccc(N2CCNC(=O)C2)cn1.
What is the InChIKey of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is KZWPTVTZCKONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-11(14-2)12-5-4-10(8-16-12)17-7-6-15-13(18)9-17/h4-5,8,11,14H,3,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one?
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 112584096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).