N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C17H22N6O — CID 53363029

IUPACN-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C17H22N6O/c1-12-6-8-23(9-7-12)17-19-11-18-16(22-17)21-15-5-3-4-14(10-15)20-13(2)24/h3-5,10-12H,6-9H2,1-2H3,(H,20,24)(H,18,19,21,22)
InChIKeyYHRJRPQRDUBXJB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.81
Rot. Bonds4

About N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 53363029) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID53363029
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(C)CC3)n2)c1
InChIInChI=1S/C17H22N6O/c1-12-6-8-23(9-7-12)17-19-11-18-16(22-17)21-15-5-3-4-14(10-15)20-13(2)24/h3-5,10-12H,6-9H2,1-2H3,(H,20,24)(H,18,19,21,22)
InChIKeyYHRJRPQRDUBXJB-UHFFFAOYSA-N
XLogP2.81
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45136898
N-[2-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362171
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-methoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53363030
1-[4-(3-Acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 53363031
N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53363032
N-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 9026002
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]-methylamino]phenyl]acetamide
CID 53362970
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N-methylacetamide
CID 53363026
N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 53363027
N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 53363028
1-(4,6-Dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 1234729

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 53363029) is N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(C)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is YHRJRPQRDUBXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12-6-8-23(9-7-12)17-19-11-18-16(22-17)21-15-5-3-4-14(10-15)20-13(2)24/h3-5,10-12H,6-9H2,1-2H3,(H,20,24)(H,18,19,21,22).
What are the key properties of N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53363029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).