(4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone

C21H27N7O2 — CID 163294398

IUPAC(4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone
SMILESNC1CCN(C(=O)N2CCN3c4cc(-c5ccccc5O)nnc4NC[C@H]3C2)CC1
InChIInChI=1S/C21H27N7O2/c22-14-5-7-26(8-6-14)21(30)27-9-10-28-15(13-27)12-23-20-18(28)11-17(24-25-20)16-3-1-2-4-19(16)29/h1-4,11,14-15,29H,5-10,12-13,22H2,(H,23,25)/t15-/m0/s1
InChIKeyOYMLAGLCLKSZQH-HNNXBMFYSA-N
MW409.49 g/mol
LogP1.31
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone

(4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone (PubChem CID 163294398) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone
PubChem CID163294398
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone
SMILESNC1CCN(C(=O)N2CCN3c4cc(-c5ccccc5O)nnc4NC[C@H]3C2)CC1
InChIInChI=1S/C21H27N7O2/c22-14-5-7-26(8-6-14)21(30)27-9-10-28-15(13-27)12-23-20-18(28)11-17(24-25-20)16-3-1-2-4-19(16)29/h1-4,11,14-15,29H,5-10,12-13,22H2,(H,23,25)/t15-/m0/s1
InChIKeyOYMLAGLCLKSZQH-HNNXBMFYSA-N
XLogP1.31
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone (CID 163294398) is (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone is NC1CCN(C(=O)N2CCN3c4cc(-c5ccccc5O)nnc4NC[C@H]3C2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone?
The InChIKey is OYMLAGLCLKSZQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N7O2/c22-14-5-7-26(8-6-14)21(30)27-9-10-28-15(13-27)12-23-20-18(28)11-17(24-25-20)16-3-1-2-4-19(16)29/h1-4,11,14-15,29H,5-10,12-13,22H2,(H,23,25)/t15-/m0/s1.
What are the key properties of (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone?
(4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone has a molecular weight of 409.49 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]methanone is sourced from PubChem (CID 163294398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).