1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one

C21H28N2O2 — CID 67281880

IUPAC1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN(CCCOc2ccc(-c3ccn(C)c(=O)c3)cc2)C1
InChIInChI=1S/C21H28N2O2/c1-17-5-3-11-23(16-17)12-4-14-25-20-8-6-18(7-9-20)19-10-13-22(2)21(24)15-19/h6-10,13,15,17H,3-5,11-12,14,16H2,1-2H3/t17-/m1/s1
InChIKeyGVXWMDZHYBAQJP-QGZVFWFLSA-N
MW340.47 g/mol
LogP3.55
Rot. Bonds6

About 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one

1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one (PubChem CID 67281880) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
PubChem CID67281880
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
SMILESC[C@@H]1CCCN(CCCOc2ccc(-c3ccn(C)c(=O)c3)cc2)C1
InChIInChI=1S/C21H28N2O2/c1-17-5-3-11-23(16-17)12-4-14-25-20-8-6-18(7-9-20)19-10-13-22(2)21(24)15-19/h6-10,13,15,17H,3-5,11-12,14,16H2,1-2H3/t17-/m1/s1
InChIKeyGVXWMDZHYBAQJP-QGZVFWFLSA-N
XLogP3.55
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-ethyl-5-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67282721
4-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-oxidopyridin-1-ium
CID 23150293
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-1-oxidopyridin-1-ium;molecular chlorine
CID 159763273
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991
(E)-but-2-enedioic acid;4-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-oxidopyridin-1-ium
CID 135338761
2,3-dihydroxybutanedioic acid;4-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-oxidopyridin-1-ium
CID 135336972
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7379881
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one (CID 67281880) is 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one is C[C@@H]1CCCN(CCCOc2ccc(-c3ccn(C)c(=O)c3)cc2)C1.
What is the InChIKey of 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one?
The InChIKey is GVXWMDZHYBAQJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-5-3-11-23(16-17)12-4-14-25-20-8-6-18(7-9-20)19-10-13-22(2)21(24)15-19/h6-10,13,15,17H,3-5,11-12,14,16H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one?
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one is sourced from PubChem (CID 67281880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).