[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone

C63H69FN6O4 — CID 123798115

IUPAC[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3Oc3ccccc3)n2)CC1.Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1C.Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C24H24N2O2.C20H24N2O.C19H21FN2O/c1-18-14-16-26(17-15-18)24(27)22-12-7-11-21(25-22)20-10-5-6-13-23(20)28-19-8-3-2-4-9-19;1-14-9-11-22(12-10-14)20(23)19-6-4-5-18(21-19)17-8-7-15(2)16(3)13-17;1-13-8-10-22(11-9-13)19(23)18-5-3-4-17(21-18)15-7-6-14(2)16(20)12-15/h2-13,18H,14-17H2,1H3;4-8,13-14H,9-12H2,1-3H3;3-7,12-13H,8-11H2,1-2H3
InChIKeyMPYDRHFZUYIMCT-UHFFFAOYSA-N
MW993.28 g/mol
LogP13.72
Rot. Bonds8

About [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone

[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone (PubChem CID 123798115) has the molecular formula C63H69FN6O4 and a molecular weight of 993.28 g/mol. Its IUPAC name is [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone
PubChem CID123798115
Molecular FormulaC63H69FN6O4
Molecular Weight993.28 g/mol
Exact Mass992.54
IUPAC Name[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3Oc3ccccc3)n2)CC1.Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1C.Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C24H24N2O2.C20H24N2O.C19H21FN2O/c1-18-14-16-26(17-15-18)24(27)22-12-7-11-21(25-22)20-10-5-6-13-23(20)28-19-8-3-2-4-9-19;1-14-9-11-22(12-10-14)20(23)19-6-4-5-18(21-19)17-8-7-15(2)16(3)13-17;1-13-8-10-22(11-9-13)19(23)18-5-3-4-17(21-18)15-7-6-14(2)16(20)12-15/h2-13,18H,14-17H2,1H3;4-8,13-14H,9-12H2,1-3H3;3-7,12-13H,8-11H2,1-2H3
InChIKeyMPYDRHFZUYIMCT-UHFFFAOYSA-N
XLogP13.72
TPSA108.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.28
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2-Fluoro-6-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210759
[1-(4-Fluorophenoxy)isoquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 68296466
[1-(4-Fluorophenoxy)isoquinolin-3-yl]-piperidin-1-ylmethanone
CID 68296509
Methyl 7-[1-[[5-cyclopropyl-2-ethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate
CID 117999004
[4-[2-[4-(2H-azirin-3-yl)phenyl]ethyl]piperazin-1-yl]-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methanone
CID 123174340
2-[4-(4-fluorophenoxy)-3-[2-(4-fluorophenoxy)-5-[6-methyl-4-[2-(4-methylmorpholin-4-ium-4-yl)ethylcarbamoyl]-2-pyridinyl]phenyl]phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 123177397
[6-[[3-(1,1-Difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 123301789
(4,4-Dimethylpiperazin-4-ium-1-yl)-[2-[4-(4-fluoro-2-propan-2-ylphenoxy)phenyl]-6-methyl-4-pyridinyl]methanone
CID 123459023
[6-[4-(4-Fluorophenoxy)phenyl]-2-pyridinyl]-[4-[2-(4-methanimidoylphenyl)ethyl]piperazin-1-yl]methanone
CID 123750245
6-[4-[2-(Diethylaminomethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[[ethyl(methyl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 146658481
N-[4-[[2-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-5-fluoro-3,4-dihydropyridine-3-carbonyl]amino]cyclohexyl]quinoline-2-carboxamide
CID 149020880
2-[(3S,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 157364170

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone (CID 123798115) is [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(-c3ccccc3Oc3ccccc3)n2)CC1.Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1C.Cc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1F.
What is the InChIKey of [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone?
The InChIKey is MPYDRHFZUYIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2.C20H24N2O.C19H21FN2O/c1-18-14-16-26(17-15-18)24(27)22-12-7-11-21(25-22)20-10-5-6-13-23(20)28-19-8-3-2-4-9-19;1-14-9-11-22(12-10-14)20(23)19-6-4-5-18(21-19)17-8-7-15(2)16(3)13-17;1-13-8-10-22(11-9-13)19(23)18-5-3-4-17(21-18)15-7-6-14(2)16(20)12-15/h2-13,18H,14-17H2,1H3;4-8,13-14H,9-12H2,1-3H3;3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone?
[6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone has a molecular weight of 993.28 g/mol, XLogP of 13.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(2-phenoxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 123798115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).