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

C22H24N6O — CID 45136898

IUPACN-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O/c1-16(29)25-19-8-5-9-20(14-19)26-21-23-15-24-22(27-21)28-12-10-18(11-13-28)17-6-3-2-4-7-17/h2-9,14-15,18H,10-13H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyHETZDFDWUQFWLT-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.96
Rot. Bonds5

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

N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 45136898) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID45136898
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H24N6O/c1-16(29)25-19-8-5-9-20(14-19)26-21-23-15-24-22(27-21)28-12-10-18(11-13-28)17-6-3-2-4-7-17/h2-9,14-15,18H,10-13H2,1H3,(H,25,29)(H,23,24,26,27)
InChIKeyHETZDFDWUQFWLT-UHFFFAOYSA-N
XLogP3.96
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 24877440
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-methyl-5-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 152011470
N-[3-[[2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
CID 145970346
N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]but-2-ynamide
CID 162663632
N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 162671992
N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362166
(E)-N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]but-2-enamide
CID 162665518
N-[3-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362968
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 45136898) is N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is HETZDFDWUQFWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16(29)25-19-8-5-9-20(14-19)26-21-23-15-24-22(27-21)28-12-10-18(11-13-28)17-6-3-2-4-7-17/h2-9,14-15,18H,10-13H2,1H3,(H,25,29)(H,23,24,26,27).
What are the key properties of N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 45136898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).