ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate

C19H24N6O3 — CID 68565223

IUPACethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1
InChIInChI=1S/C19H24N6O3/c1-3-28-17(27)14-7-9-25(10-8-14)19-21-12-20-18(24-19)23-16-6-4-5-15(11-16)22-13(2)26/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,22,26)(H,20,21,23,24)
InChIKeyZZFPRZPCOOCBAW-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.35
Rot. Bonds6

About ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate

ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate (PubChem CID 68565223) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
PubChem CID68565223
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Nameethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1
InChIInChI=1S/C19H24N6O3/c1-3-28-17(27)14-7-9-25(10-8-14)19-21-12-20-18(24-19)23-16-6-4-5-15(11-16)22-13(2)26/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,22,26)(H,20,21,23,24)
InChIKeyZZFPRZPCOOCBAW-UHFFFAOYSA-N
XLogP2.35
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[[4-[4-(4-chloroanilino)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68559705
N-[3-[[4-[4-(3-phenylpropoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137476
N-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45139121
N-[3-[[4-[4-(3-hydroxypropyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68567236
N-[3-[[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68522714
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68518229
N-[3-[[4-(6-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562690
N-[3-[[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 90946782
N-[3-[[4-[4-[4-(3,4,5-trifluorophenyl)pyrazol-1-yl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 90822030
2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561992

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate (CID 68565223) is ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc(Nc3cccc(NC(C)=O)c3)n2)CC1.
What is the InChIKey of ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate?
The InChIKey is ZZFPRZPCOOCBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-3-28-17(27)14-7-9-25(10-8-14)19-21-12-20-18(24-19)23-16-6-4-5-15(11-16)22-13(2)26/h4-6,11-12,14H,3,7-10H2,1-2H3,(H,22,26)(H,20,21,23,24).
What are the key properties of ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate?
ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 68565223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).