4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one

C18H22N4O2 — CID 170504762

IUPAC4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one
SMILESCOc1cc(-c2cccc(CN3CCNC(=O)C3)c2)c(N)nc1C
InChIInChI=1S/C18H22N4O2/c1-12-16(24-2)9-15(18(19)21-12)14-5-3-4-13(8-14)10-22-7-6-20-17(23)11-22/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyHQIUHDKPWJGVSH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.58
Rot. Bonds4

About 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one

4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one (PubChem CID 170504762) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one
PubChem CID170504762
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one
SMILESCOc1cc(-c2cccc(CN3CCNC(=O)C3)c2)c(N)nc1C
InChIInChI=1S/C18H22N4O2/c1-12-16(24-2)9-15(18(19)21-12)14-5-3-4-13(8-14)10-22-7-6-20-17(23)11-22/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyHQIUHDKPWJGVSH-UHFFFAOYSA-N
XLogP1.58
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-[[3-(1,3-benzoxazol-2-yl)phenyl]methyl]piperazin-2-one
CID 70070501
4-[[3-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]piperazin-2-one
CID 43320465
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
4-[(3-fluorophenyl)methyl]-2-[3-[(3-oxopiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-6-one
CID 135884216
4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one
CID 166623594
4-[(2-amino-4-methoxy-1,3-benzothiazol-7-yl)methyl]piperazin-2-one
CID 87949298
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 36925300
4-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456669
4-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456679
4-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97278766
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one (CID 170504762) is 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one is COc1cc(-c2cccc(CN3CCNC(=O)C3)c2)c(N)nc1C.
What is the InChIKey of 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one?
The InChIKey is HQIUHDKPWJGVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-16(24-2)9-15(18(19)21-12)14-5-3-4-13(8-14)10-22-7-6-20-17(23)11-22/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one?
4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 170504762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).