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

C19H22N2O3 — CID 70744251

IUPAC1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1cccc(OC2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-4-3-5-17(12-14)24-16-7-10-21(11-8-16)19(23)15-6-9-20(2)18(22)13-15/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3
InChIKeyHZJPWHHSUYSAQK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.38
Rot. Bonds3

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

1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 70744251) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
PubChem CID70744251
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1cccc(OC2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-4-3-5-17(12-14)24-16-7-10-21(11-8-16)19(23)15-6-9-20(2)18(22)13-15/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3
InChIKeyHZJPWHHSUYSAQK-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-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70707041
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
1-methyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 75461257
1-methyl-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyridin-2-one
CID 35706233
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-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one (CID 70744251) is 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one is Cc1cccc(OC2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)c1.
What is the InChIKey of 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is HZJPWHHSUYSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-3-5-17(12-14)24-16-7-10-21(11-8-16)19(23)15-6-9-20(2)18(22)13-15/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one?
1-methyl-4-[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-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 70744251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).