1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one

C14H22N4O — CID 64693745

IUPAC1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
SMILESCCCNc1cc(CN2CCN(C)C(=O)C2)ccn1
InChIInChI=1S/C14H22N4O/c1-3-5-15-13-9-12(4-6-16-13)10-18-8-7-17(2)14(19)11-18/h4,6,9H,3,5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyHOQQCLZSVBGERS-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.18
Rot. Bonds5

About 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one

1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one (PubChem CID 64693745) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
PubChem CID64693745
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one
SMILESCCCNc1cc(CN2CCN(C)C(=O)C2)ccn1
InChIInChI=1S/C14H22N4O/c1-3-5-15-13-9-12(4-6-16-13)10-18-8-7-17(2)14(19)11-18/h4,6,9H,3,5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyHOQQCLZSVBGERS-UHFFFAOYSA-N
XLogP1.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydrazinyl-4-pyridinyl)methyl]-1-methyl-1,4-diazepan-2-one
CID 102892713
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469641
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785
3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
CID 55234918
1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 62471287
2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
CID 82684948
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394968
4-[(2-ethylimidazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 62465994
3-[[2-(ethylamino)-4-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 62466141
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471583
4-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]-1-methylpiperazin-2-one
CID 87813134
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
CID 103056548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one (CID 64693745) is 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one is CCCNc1cc(CN2CCN(C)C(=O)C2)ccn1.
What is the InChIKey of 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one?
The InChIKey is HOQQCLZSVBGERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-5-15-13-9-12(4-6-16-13)10-18-8-7-17(2)14(19)11-18/h4,6,9H,3,5,7-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one?
1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(propylamino)-4-pyridinyl]methyl]piperazin-2-one is sourced from PubChem (CID 64693745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).