3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid

C32H34F3N7O5 — CID 71539128

IUPAC3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(OCC2CC2)cc(C(=O)NCC2CCN(c3ncnc(-c4cccc(-c5ncc[nH]5)c4)n3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H33N7O3.C2HF3O2/c1-39-25-14-24(15-26(16-25)40-18-21-5-6-21)29(38)33-17-20-7-11-37(12-8-20)30-35-19-34-28(36-30)23-4-2-3-22(13-23)27-31-9-10-32-27;3-2(4,5)1(6)7/h2-4,9-10,13-16,19-21H,5-8,11-12,17-18H2,1H3,(H,31,32)(H,33,38);(H,6,7)
InChIKeyONJROGYTCICPKB-UHFFFAOYSA-N
MW653.66 g/mol
LogP5.01
Rot. Bonds10

About 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid

3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 71539128) has the molecular formula C32H34F3N7O5 and a molecular weight of 653.66 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID71539128
Molecular FormulaC32H34F3N7O5
Molecular Weight653.66 g/mol
Exact Mass653.26
IUPAC Name3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(OCC2CC2)cc(C(=O)NCC2CCN(c3ncnc(-c4cccc(-c5ncc[nH]5)c4)n3)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H33N7O3.C2HF3O2/c1-39-25-14-24(15-26(16-25)40-18-21-5-6-21)29(38)33-17-20-7-11-37(12-8-20)30-35-19-34-28(36-30)23-4-2-3-22(13-23)27-31-9-10-32-27;3-2(4,5)1(6)7/h2-4,9-10,13-16,19-21H,5-8,11-12,17-18H2,1H3,(H,31,32)(H,33,38);(H,6,7)
InChIKeyONJROGYTCICPKB-UHFFFAOYSA-N
XLogP5.01
TPSA155.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.66
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(cyclopropylmethoxy)-N-[[1-[5-fluoro-2-[3-(triazol-1-yl)phenyl]pyrimidin-4-yl]piperidin-4-yl]methyl]-5-methoxybenzamide
CID 89471625
3-(cyanomethoxy)-N-[[1-[5-fluoro-2-[3-(1H-pyrazol-5-yl)phenyl]pyrimidin-4-yl]piperidin-4-yl]methyl]-5-methoxybenzamide
CID 89471898
N-[[1-[5-cyano-2-(3-pyrazol-1-ylphenyl)pyrimidin-4-yl]piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 89471894
4-acetyl-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 44532219
1-[3-(cyclopropylmethoxy)-5-methoxyphenyl]-3-[1-[2-(3-pyrazol-1-ylphenyl)pyrimidin-4-yl]piperidin-4-yl]butan-1-one
CID 158998251
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
3-[2-(2,4-dichlorophenyl)ethoxy]-5-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 23396232
3,5-dimethoxy-N-[[1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]benzamide
CID 5193643
3-methyl-5-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 68743498
[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927052
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
CID 90086497

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid (CID 71539128) is 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid is COc1cc(OCC2CC2)cc(C(=O)NCC2CCN(c3ncnc(-c4cccc(-c5ncc[nH]5)c4)n3)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is ONJROGYTCICPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3.C2HF3O2/c1-39-25-14-24(15-26(16-25)40-18-21-5-6-21)29(38)33-17-20-7-11-37(12-8-20)30-35-19-34-28(36-30)23-4-2-3-22(13-23)27-31-9-10-32-27;3-2(4,5)1(6)7/h2-4,9-10,13-16,19-21H,5-8,11-12,17-18H2,1H3,(H,31,32)(H,33,38);(H,6,7).
What are the key properties of 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 653.66 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[[1-[4-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]-5-methoxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71539128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).