3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one

C20H26N2O3 — CID 174703613

IUPAC3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one
SMILESCc1c(O)c(=O)ccn1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-16-20(24)19(23)10-14-22(16)17-6-8-18(9-7-17)25-15-5-13-21-11-3-2-4-12-21/h6-10,14,24H,2-5,11-13,15H2,1H3
InChIKeyDVIMDNSESGUMIG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds6

About 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one

3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one (PubChem CID 174703613) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one
PubChem CID174703613
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one
SMILESCc1c(O)c(=O)ccn1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3/c1-16-20(24)19(23)10-14-22(16)17-6-8-18(9-7-17)25-15-5-13-21-11-3-2-4-12-21/h6-10,14,24H,2-5,11-13,15H2,1H3
InChIKeyDVIMDNSESGUMIG-UHFFFAOYSA-N
XLogP3.11
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
5-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 23151336
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
5-tert-butyl-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24785564
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 67198599
4-[(3,4-dimethylphenoxy)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 58964911
(4S)-4-(piperidin-1-ylmethyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]azetidin-2-one
CID 16662455
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one (CID 174703613) is 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one is Cc1c(O)c(=O)ccn1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one?
The InChIKey is DVIMDNSESGUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-20(24)19(23)10-14-22(16)17-6-8-18(9-7-17)25-15-5-13-21-11-3-2-4-12-21/h6-10,14,24H,2-5,11-13,15H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one?
3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one has a molecular weight of 342.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-4-one is sourced from PubChem (CID 174703613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).