[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

C27H29F3N4O — CID 123861542

IUPAC[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCCC(C)C2CNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C27H29F3N4O/c1-17-6-8-22(20-10-11-31-19(3)14-20)23(13-17)26(35)34-12-4-5-18(2)24(34)16-33-25-9-7-21(15-32-25)27(28,29)30/h6-11,13-15,18,24H,4-5,12,16H2,1-3H3,(H,32,33)
InChIKeyNOIOSTVLVRHPMT-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.13
Rot. Bonds5

About [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 123861542) has the molecular formula C27H29F3N4O and a molecular weight of 482.55 g/mol. Its IUPAC name is [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID123861542
Molecular FormulaC27H29F3N4O
Molecular Weight482.55 g/mol
Exact Mass482.23
IUPAC Name[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCCC(C)C2CNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C27H29F3N4O/c1-17-6-8-22(20-10-11-31-19(3)14-20)23(13-17)26(35)34-12-4-5-18(2)24(34)16-33-25-9-7-21(15-32-25)27(28,29)30/h6-11,13-15,18,24H,4-5,12,16H2,1-3H3,(H,32,33)
InChIKeyNOIOSTVLVRHPMT-UHFFFAOYSA-N
XLogP6.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-methyl-2-pyrimidin-5-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025216
(5-methyl-2-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025218
[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 71715787
[2-(2-methoxypyrimidin-5-yl)-5-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123243665
[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025985
[5-methyl-2-(2H-tetrazol-5-yl)phenyl]-[(2S)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 162596218
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025841
[5-methyl-2-(4-methyltriazol-2-yl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123640803
[5-methyl-2-[2-[[3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-4-yl]methyl]-4-pyridinyl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123407128
[3-fluoro-5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025616
(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123174792
(4,5-difluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123703538

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 123861542) is [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is Cc1ccc(-c2ccnc(C)c2)c(C(=O)N2CCCC(C)C2CNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is NOIOSTVLVRHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O/c1-17-6-8-22(20-10-11-31-19(3)14-20)23(13-17)26(35)34-12-4-5-18(2)24(34)16-33-25-9-7-21(15-32-25)27(28,29)30/h6-11,13-15,18,24H,4-5,12,16H2,1-3H3,(H,32,33).
What are the key properties of [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 482.55 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123861542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).