1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one

C19H22N2O3 — CID 70742237

IUPAC1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1cccc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-3-6-16(13-14)24-15-8-11-21(12-9-15)19(23)17-7-4-10-20(2)18(17)22/h3-7,10,13,15H,8-9,11-12H2,1-2H3
InChIKeyCQVATRYQRLYJED-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.38
Rot. Bonds3

About 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one

1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 70742237) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
PubChem CID70742237
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1cccc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-3-6-16(13-14)24-15-8-11-21(12-9-15)19(23)17-7-4-10-20(2)18(17)22/h3-7,10,13,15H,8-9,11-12H2,1-2H3
InChIKeyCQVATRYQRLYJED-UHFFFAOYSA-N
XLogP2.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 90617112
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70707041
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one (CID 70742237) is 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one is Cc1cccc(OC2CCN(C(=O)c3cccn(C)c3=O)CC2)c1.
What is the InChIKey of 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is CQVATRYQRLYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-3-6-16(13-14)24-15-8-11-21(12-9-15)19(23)17-7-4-10-20(2)18(17)22/h3-7,10,13,15H,8-9,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 70742237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).