4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide

C25H29N7O3 — CID 53362556

IUPAC4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(N)=O)cc4)CC3)n2)c1C
InChIInChI=1S/C25H29N7O3/c1-16-21(29-17(2)33)4-3-5-22(16)30-24-27-15-28-25(31-24)32-12-10-20(11-13-32)35-14-18-6-8-19(9-7-18)23(26)34/h3-9,15,20H,10-14H2,1-2H3,(H2,26,34)(H,29,33)(H,27,28,30,31)
InChIKeyCKIYCQOKWLRGAY-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.17
Rot. Bonds8

About 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide

4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide (PubChem CID 53362556) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide
PubChem CID53362556
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(N)=O)cc4)CC3)n2)c1C
InChIInChI=1S/C25H29N7O3/c1-16-21(29-17(2)33)4-3-5-22(16)30-24-27-15-28-25(31-24)32-12-10-20(11-13-32)35-14-18-6-8-19(9-7-18)23(26)34/h3-9,15,20H,10-14H2,1-2H3,(H2,26,34)(H,29,33)(H,27,28,30,31)
InChIKeyCKIYCQOKWLRGAY-UHFFFAOYSA-N
XLogP3.17
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide with MolForge

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Related Compounds

N-[2-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362500
N-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362501
N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362502
Ethyl 4-[[4-[[4-methoxy-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]methyl]benzoate
CID 70688114
Ethyl 4-[[4-[[4-(methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]methyl]benzoate
CID 70690149
Ethyl 4-[[4-[[4-amino-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]methyl]benzoate
CID 70694365
N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362169
N-[2-methyl-3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362170
N-[3-[[4-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362439
N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362440
N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362441
N-[2-methyl-3-[[4-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362442

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide?
The IUPAC name of 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide (CID 53362556) is 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide.
What is the SMILES notation for 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide?
The canonical SMILES for 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(C(N)=O)cc4)CC3)n2)c1C.
What is the InChIKey of 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide?
The InChIKey is CKIYCQOKWLRGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-16-21(29-17(2)33)4-3-5-22(16)30-24-27-15-28-25(31-24)32-12-10-20(11-13-32)35-14-18-6-8-19(9-7-18)23(26)34/h3-9,15,20H,10-14H2,1-2H3,(H2,26,34)(H,29,33)(H,27,28,30,31).
What are the key properties of 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide?
4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(3-acetamido-2-methylanilino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxymethyl]benzamide is sourced from PubChem (CID 53362556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).