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

C14H15N5O — CID 167750402

IUPAC(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1ncnc(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c20-13-11(7-4-8-15-13)18-14-17-9-16-12(19-14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,15,20)(H,16,17,18,19)/t11-/m0/s1
InChIKeyHIFYTPGLGPMPAL-NSHDSACASA-N
MW269.31 g/mol
LogP1.23
Rot. Bonds3

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

(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one (PubChem CID 167750402) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
PubChem CID167750402
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1ncnc(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c20-13-11(7-4-8-15-13)18-14-17-9-16-12(19-14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,15,20)(H,16,17,18,19)/t11-/m0/s1
InChIKeyHIFYTPGLGPMPAL-NSHDSACASA-N
XLogP1.23
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53321550
2-[[4-[(2-Amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide
CID 164626953
Imidazolidine-2,4-dione;6-phenyl-1,3,5-triazine-2,4-diamine
CID 44152056
5-[(3-Phenyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 86816199
N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide
CID 138030111
6-Phenyl-1,3,5-triazine-2,4-diamine;piperidine-2,6-dione
CID 139145186
1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55839316
4-[3-[[4-(3-Fluorophenyl)-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
CID 126840330
4-[4-(3-Fluorophenyl)-1,3,5-triazin-2-yl]piperazine-1-carboxamide
CID 138022815
3-(Methylamino)-7-phenyl-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20798976
Imidazolidine-2,4-dione;2-phenyl-1,3,5-triazine
CID 68424801
N-ethyl-4-(1,3,5-triazin-2-yl)benzamide
CID 68915705

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The IUPAC name of (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one (CID 167750402) is (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one is O=C1NCCC[C@@H]1Nc1ncnc(-c2ccccc2)n1.
What is the InChIKey of (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The InChIKey is HIFYTPGLGPMPAL-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O/c20-13-11(7-4-8-15-13)18-14-17-9-16-12(19-14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,15,20)(H,16,17,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one?
(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 167750402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).