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

C16H20N6O — CID 53363028

IUPACN-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCCCC3)n2)c1
InChIInChI=1S/C16H20N6O/c1-12(23)19-13-6-5-7-14(10-13)20-15-17-11-18-16(21-15)22-8-3-2-4-9-22/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,23)(H,17,18,20,21)
InChIKeyOXDGRKBNSCFMDC-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.56
Rot. Bonds4

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

N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide (PubChem CID 53363028) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
PubChem CID53363028
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCCCC3)n2)c1
InChIInChI=1S/C16H20N6O/c1-12(23)19-13-6-5-7-14(10-13)20-15-17-11-18-16(21-15)22-8-3-2-4-9-22/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,23)(H,17,18,20,21)
InChIKeyOXDGRKBNSCFMDC-UHFFFAOYSA-N
XLogP2.56
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.56
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-(2-{[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)-N'-phenylurea
CID 3156648
N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 2969869
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-6-piperidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 10516199
N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 51092053
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide (CID 53363028) is N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The InChIKey is OXDGRKBNSCFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12(23)19-13-6-5-7-14(10-13)20-15-17-11-18-16(21-15)22-8-3-2-4-9-22/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,23)(H,17,18,20,21).
What are the key properties of N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide has a molecular weight of 312.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 53363028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).