CID 10248589

C21H26N2O4 — CID 10248589

IUPAC—
SMILESO=C(c1ccncc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H26N2O4/c24-19(16-1-5-22-6-2-16)23-7-3-20(4-8-23)25-21(27-26-20)17-10-14-9-15(12-17)13-18(21)11-14/h1-2,5-6,14-15,17-18H,3-4,7-13H2
InChIKeyQZTQXDOICILZLA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.14
Rot. Bonds1

About CID 10248589

CID 10248589 (PubChem CID 10248589) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol.

Molecular Properties

Compound NameCID 10248589
PubChem CID10248589
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name—
SMILESO=C(c1ccncc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H26N2O4/c24-19(16-1-5-22-6-2-16)23-7-3-20(4-8-23)25-21(27-26-20)17-10-14-9-15(12-17)13-18(21)11-14/h1-2,5-6,14-15,17-18H,3-4,7-13H2
InChIKeyQZTQXDOICILZLA-UHFFFAOYSA-N
XLogP3.14
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 10248589 with MolForge

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

Launch Full Analysis

Related Compounds

CID 20801726
CID 20801726
2-((1R,3R,4''S,5R,5'S,7R)-Dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)-1-(piperidin-1-YL)ethan-1-one
CID 20801802
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
CID 20801869
CID 20801869
CID 87292126
CID 87292126
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
CID 91225764
CID 91225764
CID 163949530
CID 163949530
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737
CID 10403599
CID 10403599

Frequently Asked Questions

What is the IUPAC name of CID 10248589?
The IUPAC name of CID 10248589 (CID 10248589) is not available.
What is the SMILES notation for CID 10248589?
The canonical SMILES for CID 10248589 is O=C(c1ccncc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 10248589?
The InChIKey is QZTQXDOICILZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-19(16-1-5-22-6-2-16)23-7-3-20(4-8-23)25-21(27-26-20)17-10-14-9-15(12-17)13-18(21)11-14/h1-2,5-6,14-15,17-18H,3-4,7-13H2.
What are the key properties of CID 10248589?
CID 10248589 has a molecular weight of 370.45 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10248589 is sourced from PubChem (CID 10248589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).