(1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate

C23H29N3O2 — CID 19154676

IUPAC(1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate
SMILESCN1CCC(OC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1
InChIInChI=1S/C23H29N3O2/c1-21(2)22(3)11-12-23(21,20(27)28-15-9-13-26(4)14-10-15)19-18(22)24-16-7-5-6-8-17(16)25-19/h5-8,15H,9-14H2,1-4H3
InChIKeyOHJXPKAIIXGAPL-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.60
Rot. Bonds2

About (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate

(1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate (PubChem CID 19154676) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate
PubChem CID19154676
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate
SMILESCN1CCC(OC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1
InChIInChI=1S/C23H29N3O2/c1-21(2)22(3)11-12-23(21,20(27)28-15-9-13-26(4)14-10-15)19-18(22)24-16-7-5-6-8-17(16)25-19/h5-8,15H,9-14H2,1-4H3
InChIKeyOHJXPKAIIXGAPL-UHFFFAOYSA-N
XLogP3.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate (CID 19154676) is (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate is CN1CCC(OC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate?
The InChIKey is OHJXPKAIIXGAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-21(2)22(3)11-12-23(21,20(27)28-15-9-13-26(4)14-10-15)19-18(22)24-16-7-5-6-8-17(16)25-19/h5-8,15H,9-14H2,1-4H3.
What are the key properties of (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate?
(1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate is sourced from PubChem (CID 19154676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).