15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate

C24H22N2O2 — CID 168917795

IUPAC15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCN1CC2(C1)CN(C(=O)Oc1ccc3c(ccc4c5c(ccc43)C=CC5)c1)C2
InChIInChI=1S/C24H22N2O2/c1-25-12-24(13-25)14-26(15-24)23(27)28-18-7-10-20-17(11-18)6-9-21-19-4-2-3-16(19)5-8-22(20)21/h2-3,5-11H,4,12-15H2,1H3
InChIKeyCIVVVMXUKMDJJW-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.31
Rot. Bonds1

About 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate

15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 168917795) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Name15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID168917795
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCN1CC2(C1)CN(C(=O)Oc1ccc3c(ccc4c5c(ccc43)C=CC5)c1)C2
InChIInChI=1S/C24H22N2O2/c1-25-12-24(13-25)14-26(15-24)23(27)28-18-7-10-20-17(11-18)6-9-21-19-4-2-3-16(19)5-8-22(20)21/h2-3,5-11H,4,12-15H2,1H3
InChIKeyCIVVVMXUKMDJJW-UHFFFAOYSA-N
XLogP4.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 168917795) is 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate is CN1CC2(C1)CN(C(=O)Oc1ccc3c(ccc4c5c(ccc43)C=CC5)c1)C2.
What is the InChIKey of 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is CIVVVMXUKMDJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-25-12-24(13-25)14-26(15-24)23(27)28-18-7-10-20-17(11-18)6-9-21-19-4-2-3-16(19)5-8-22(20)21/h2-3,5-11H,4,12-15H2,1H3.
What are the key properties of 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15H-cyclopenta[a]phenanthren-3-yl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 168917795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).