4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C26H33F3N4O — CID 53307373

IUPAC4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccnc2N2CCC(CCN3CCCCC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C26H33F3N4O/c1-19-7-8-21(18-22(19)26(27,28)29)25(34)31-23-6-5-12-30-24(23)33-16-10-20(11-17-33)9-15-32-13-3-2-4-14-32/h5-8,12,18,20H,2-4,9-11,13-17H2,1H3,(H,31,34)
InChIKeyRGFOASNJGAOGJW-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.75
Rot. Bonds6

About 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 53307373) has the molecular formula C26H33F3N4O and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID53307373
Molecular FormulaC26H33F3N4O
Molecular Weight474.57 g/mol
Exact Mass474.26
IUPAC Name4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccnc2N2CCC(CCN3CCCCC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C26H33F3N4O/c1-19-7-8-21(18-22(19)26(27,28)29)25(34)31-23-6-5-12-30-24(23)33-16-10-20(11-17-33)9-15-32-13-3-2-4-14-32/h5-8,12,18,20H,2-4,9-11,13-17H2,1H3,(H,31,34)
InChIKeyRGFOASNJGAOGJW-UHFFFAOYSA-N
XLogP5.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307548
4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307637
3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307462
5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024994
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 50783439
6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 111338627
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
3-chloro-N-[5-chloro-2-[4-[2-(4-formyl-1,4-diazepan-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 87363267
3-(tert-butylamino)-4-methyl-N-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 159915545
N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 53307373) is 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Nc2cccnc2N2CCC(CCN3CCCCC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RGFOASNJGAOGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O/c1-19-7-8-21(18-22(19)26(27,28)29)25(34)31-23-6-5-12-30-24(23)33-16-10-20(11-17-33)9-15-32-13-3-2-4-14-32/h5-8,12,18,20H,2-4,9-11,13-17H2,1H3,(H,31,34).
What are the key properties of 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.57 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 53307373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).