[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride

C20H24ClF3N4O — CID 119543139

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C20H23F3N4O.ClH/c1-24-13-14-7-10-27(11-8-14)19(28)17-6-3-9-25-18(17)26-16-5-2-4-15(12-16)20(21,22)23;/h2-6,9,12,14,24H,7-8,10-11,13H2,1H3,(H,25,26);1H
InChIKeyMNOLDZMXRBOBDJ-UHFFFAOYSA-N
MW428.89 g/mol
LogP4.34
Rot. Bonds5

About [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride (PubChem CID 119543139) has the molecular formula C20H24ClF3N4O and a molecular weight of 428.89 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
PubChem CID119543139
Molecular FormulaC20H24ClF3N4O
Molecular Weight428.89 g/mol
Exact Mass428.16
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C20H23F3N4O.ClH/c1-24-13-14-7-10-27(11-8-14)19(28)17-6-3-9-25-18(17)26-16-5-2-4-15(12-16)20(21,22)23;/h2-6,9,12,14,24H,7-8,10-11,13H2,1H3,(H,25,26);1H
InChIKeyMNOLDZMXRBOBDJ-UHFFFAOYSA-N
XLogP4.34
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride with MolForge

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Related Compounds

(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
2-[4-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55460419
[4-(4-nitrophenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 26199826
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride (CID 119543139) is [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride is CNCC1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride?
The InChIKey is MNOLDZMXRBOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O.ClH/c1-24-13-14-7-10-27(11-8-14)19(28)17-6-3-9-25-18(17)26-16-5-2-4-15(12-16)20(21,22)23;/h2-6,9,12,14,24H,7-8,10-11,13H2,1H3,(H,25,26);1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride has a molecular weight of 428.89 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride is sourced from PubChem (CID 119543139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).