1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone

C19H24N4O — CID 75384454

IUPAC1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccccc2CNc2ccc(C)cn2)CC1
InChIInChI=1S/C19H24N4O/c1-15-7-8-19(20-13-15)21-14-17-5-3-4-6-18(17)23-11-9-22(10-12-23)16(2)24/h3-8,13H,9-12,14H2,1-2H3,(H,20,21)
InChIKeyGCEGLCIQBPDBDT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone

1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone (PubChem CID 75384454) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
PubChem CID75384454
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccccc2CNc2ccc(C)cn2)CC1
InChIInChI=1S/C19H24N4O/c1-15-7-8-19(20-13-15)21-14-17-5-3-4-6-18(17)23-11-9-22(10-12-23)16(2)24/h3-8,13H,9-12,14H2,1-2H3,(H,20,21)
InChIKeyGCEGLCIQBPDBDT-UHFFFAOYSA-N
XLogP2.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 71912556
N-[(2-ethylphenyl)methyl]-5-methylpyridin-2-amine
CID 64695713
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439624
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
CID 91791359
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 56821492
1-[4-[5-[(4-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947004
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone
CID 91651100

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone (CID 75384454) is 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccccc2CNc2ccc(C)cn2)CC1.
What is the InChIKey of 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is GCEGLCIQBPDBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-7-8-19(20-13-15)21-14-17-5-3-4-6-18(17)23-11-9-22(10-12-23)16(2)24/h3-8,13H,9-12,14H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone?
1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(5-methyl-2-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 75384454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).