4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide

C25H33N3O2 — CID 144958223

IUPAC4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide
SMILESCc1ccc(C(N)=O)cc1C1(C)CCN(C)[C@H](C)[C@@H]1N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C25H33N3O2/c1-17-11-12-20(24(26)30)16-21(17)25(3)13-14-27(4)18(2)23(25)28(5)22(29)15-19-9-7-6-8-10-19/h6-12,16,18,23H,13-15H2,1-5H3,(H2,26,30)/t18-,23+,25?/m1/s1
InChIKeyCSGLTKGBJUYFQH-POJZJIJJSA-N
MW407.56 g/mol
LogP3.15
Rot. Bonds5

About 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide

4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide (PubChem CID 144958223) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide
PubChem CID144958223
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide
SMILESCc1ccc(C(N)=O)cc1C1(C)CCN(C)[C@H](C)[C@@H]1N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C25H33N3O2/c1-17-11-12-20(24(26)30)16-21(17)25(3)13-14-27(4)18(2)23(25)28(5)22(29)15-19-9-7-6-8-10-19/h6-12,16,18,23H,13-15H2,1-5H3,(H2,26,30)/t18-,23+,25?/m1/s1
InChIKeyCSGLTKGBJUYFQH-POJZJIJJSA-N
XLogP3.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,9R,13R)-1,10-dimethyl-13-[methyl(2-phenylethyl)amino]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 118507302
(9R,13R)-1,10-dimethyl-13-[methyl(2-phenylethyl)amino]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 140778671
3-[(2R,3R)-1-(butoxymethyl)-2,3,4-trimethylpiperidin-4-yl]-4-methylbenzamide
CID 155463373
3-[(1R,4aR,8aR)-2-(cyclopropylmethyl)-1-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]-4-methylbenzamide
CID 146226382
13-[(4-cyanophenyl)carbamoyl-methylamino]-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 123418564
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-4-(2-ethyl-5-methoxyphenyl)-1,2,4-trimethylpiperidin-3-yl]-1-methylurea
CID 144958095
2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 63589266
3-[(4aS)-7a-hydroxy-1,2-dimethyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyridin-4a-yl]-4-ethylbenzamide
CID 142397456
N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide
CID 134592344
4-[[[(1R,13S)-10-(cyclopropylmethyl)-1,4-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-methylcarbamoyl]amino]benzamide
CID 90148818
(1S,13R)-1,13-dimethyl-10-(3-methylbutyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 129151292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide?
The IUPAC name of 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide (CID 144958223) is 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide is Cc1ccc(C(N)=O)cc1C1(C)CCN(C)[C@H](C)[C@@H]1N(C)C(=O)Cc1ccccc1.
What is the InChIKey of 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide?
The InChIKey is CSGLTKGBJUYFQH-POJZJIJJSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17-11-12-20(24(26)30)16-21(17)25(3)13-14-27(4)18(2)23(25)28(5)22(29)15-19-9-7-6-8-10-19/h6-12,16,18,23H,13-15H2,1-5H3,(H2,26,30)/t18-,23+,25?/m1/s1.
What are the key properties of 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide?
4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2R,3R)-1,2,4-trimethyl-3-[methyl-(2-phenylacetyl)amino]piperidin-4-yl]benzamide is sourced from PubChem (CID 144958223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).