5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one

C21H29N3O2 — CID 71541881

IUPAC5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCCCN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H29N3O2/c1-18-5-10-21(25)24(17-18)19-6-8-20(9-7-19)26-16-4-3-11-23-14-12-22(2)13-15-23/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyRGFJNBWDNOPWSJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.55
Rot. Bonds7

About 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one

5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one (PubChem CID 71541881) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one
PubChem CID71541881
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one
SMILESCc1ccc(=O)n(-c2ccc(OCCCCN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H29N3O2/c1-18-5-10-21(25)24(17-18)19-6-8-20(9-7-19)26-16-4-3-11-23-14-12-22(2)13-15-23/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyRGFJNBWDNOPWSJ-UHFFFAOYSA-N
XLogP2.55
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
CID 71543108
1-[4-(chloromethoxy)phenyl]-5-methylpyridin-2-one
CID 131996530
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one;hydrochloride
CID 2993897
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one?
The IUPAC name of 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one (CID 71541881) is 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one?
The canonical SMILES for 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one is Cc1ccc(=O)n(-c2ccc(OCCCCN3CCN(C)CC3)cc2)c1.
What is the InChIKey of 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one?
The InChIKey is RGFJNBWDNOPWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-18-5-10-21(25)24(17-18)19-6-8-20(9-7-19)26-16-4-3-11-23-14-12-22(2)13-15-23/h5-10,17H,3-4,11-16H2,1-2H3.
What are the key properties of 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one?
5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 71541881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).