(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide

C26H30N6O3 — CID 68563552

IUPAC(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1)[C@@H]1CCCO1
InChIInChI=1S/C26H30N6O3/c33-24(23-10-5-15-34-23)29-20-8-4-9-21(16-20)30-25-27-18-28-26(31-25)32-13-11-22(12-14-32)35-17-19-6-2-1-3-7-19/h1-4,6-9,16,18,22-23H,5,10-15,17H2,(H,29,33)(H,27,28,30,31)/t23-/m0/s1
InChIKeyKWFKJAKWJLQJSO-QHCPKHFHSA-N
MW474.57 g/mol
LogP3.92
Rot. Bonds8

About (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 68563552) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide
PubChem CID68563552
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1)[C@@H]1CCCO1
InChIInChI=1S/C26H30N6O3/c33-24(23-10-5-15-34-23)29-20-8-4-9-21(16-20)30-25-27-18-28-26(31-25)32-13-11-22(12-14-32)35-17-19-6-2-1-3-7-19/h1-4,6-9,16,18,22-23H,5,10-15,17H2,(H,29,33)(H,27,28,30,31)/t23-/m0/s1
InChIKeyKWFKJAKWJLQJSO-QHCPKHFHSA-N
XLogP3.92
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 87499064
2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561992
N-[3-[[4-[4-(3-phenylpropoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137476
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[2-fluoro-5-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561470
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
CID 17361884
N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N'-[3-[[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]butanediamide
CID 91135373
N-phenyloxolane-2-carboxamide
CID 3453643
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide (CID 68563552) is (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is KWFKJAKWJLQJSO-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N6O3/c33-24(23-10-5-15-34-23)29-20-8-4-9-21(16-20)30-25-27-18-28-26(31-25)32-13-11-22(12-14-32)35-17-19-6-2-1-3-7-19/h1-4,6-9,16,18,22-23H,5,10-15,17H2,(H,29,33)(H,27,28,30,31)/t23-/m0/s1.
What are the key properties of (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 68563552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).