16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione

C24H30N8O2 — CID 122472085

IUPAC16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
SMILESO=C1Nc2cn(C3CCNCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
InChIInChI=1S/C24H30N8O2/c33-23-20-7-5-6-19(28-20)17-14-27-31(15-17)13-4-2-1-3-10-26-24(34)22-21(29-23)16-32(30-22)18-8-11-25-12-9-18/h5-7,14-16,18,25H,1-4,8-13H2,(H,26,34)(H,29,33)
InChIKeyQSIQLKCEMDYCNP-UHFFFAOYSA-N
MW462.56 g/mol
LogP2.62
Rot. Bonds1

About 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione

16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione (PubChem CID 122472085) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione.

Molecular Properties

Compound Name16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
PubChem CID122472085
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione
SMILESO=C1Nc2cn(C3CCNCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2
InChIInChI=1S/C24H30N8O2/c33-23-20-7-5-6-19(28-20)17-14-27-31(15-17)13-4-2-1-3-10-26-24(34)22-21(29-23)16-32(30-22)18-8-11-25-12-9-18/h5-7,14-16,18,25H,1-4,8-13H2,(H,26,34)(H,29,33)
InChIKeyQSIQLKCEMDYCNP-UHFFFAOYSA-N
XLogP2.62
TPSA118.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione 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 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
The IUPAC name of 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione (CID 122472085) is 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione.
What is the SMILES notation for 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
The canonical SMILES for 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione is O=C1Nc2cn(C3CCNCC3)nc2C(=O)NCCCCCCn2cc(cn2)-c2cccc1n2.
What is the InChIKey of 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
The InChIKey is QSIQLKCEMDYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c33-23-20-7-5-6-19(28-20)17-14-27-31(15-17)13-4-2-1-3-10-26-24(34)22-21(29-23)16-32(30-22)18-8-11-25-12-9-18/h5-7,14-16,18,25H,1-4,8-13H2,(H,26,34)(H,29,33).
What are the key properties of 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione?
16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione has a molecular weight of 462.56 g/mol, XLogP of 2.62, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16-piperidin-4-yl-4,5,12,15,16,19,25-heptazatetracyclo[19.3.1.12,5.014,18]hexacosa-1(25),2(26),3,14,17,21,23-heptaene-13,20-dione is sourced from PubChem (CID 122472085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).