11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

C15H18N4O2 — CID 118262490

IUPAC11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESO=C1NCCc2[nH]c3nc(N4CCC[C@H](O)C4)ccc3c21
InChIInChI=1S/C15H18N4O2/c20-9-2-1-7-19(8-9)12-4-3-10-13-11(17-14(10)18-12)5-6-16-15(13)21/h3-4,9,20H,1-2,5-8H2,(H,16,21)(H,17,18)/t9-/m0/s1
InChIKeyPBQYTVVQGQKPNN-VIFPVBQESA-N
MW286.33 g/mol
LogP0.81
Rot. Bonds1

About 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (PubChem CID 118262490) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.

Molecular Properties

Compound Name11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
PubChem CID118262490
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESO=C1NCCc2[nH]c3nc(N4CCC[C@H](O)C4)ccc3c21
InChIInChI=1S/C15H18N4O2/c20-9-2-1-7-19(8-9)12-4-3-10-13-11(17-14(10)18-12)5-6-16-15(13)21/h3-4,9,20H,1-2,5-8H2,(H,16,21)(H,17,18)/t9-/m0/s1
InChIKeyPBQYTVVQGQKPNN-VIFPVBQESA-N
XLogP0.81
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one with MolForge

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Related Compounds

3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
CID 129497593
3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
CID 121205033
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
6-[(3S)-3-hydroxypiperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 107225532
12-chloro-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-3-one
CID 156540165
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 162628382
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
CID 97258754
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 67949978

Frequently Asked Questions

What is the IUPAC name of 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The IUPAC name of 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (CID 118262490) is 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.
What is the SMILES notation for 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The canonical SMILES for 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is O=C1NCCc2[nH]c3nc(N4CCC[C@H](O)C4)ccc3c21.
What is the InChIKey of 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The InChIKey is PBQYTVVQGQKPNN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N4O2/c20-9-2-1-7-19(8-9)12-4-3-10-13-11(17-14(10)18-12)5-6-16-15(13)21/h3-4,9,20H,1-2,5-8H2,(H,16,21)(H,17,18)/t9-/m0/s1.
What are the key properties of 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one has a molecular weight of 286.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3S)-3-hydroxypiperidin-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is sourced from PubChem (CID 118262490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).