2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene

C23H24N2 — CID 67755947

IUPAC2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
SMILESCN1CCC(=C2c3ccccc3CCc3c2[nH]c2ccccc32)CC1
InChIInChI=1S/C23H24N2/c1-25-14-12-17(13-15-25)22-18-7-3-2-6-16(18)10-11-20-19-8-4-5-9-21(19)24-23(20)22/h2-9,24H,10-15H2,1H3
InChIKeyVIWFSXGSPGCURQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.79
Rot. Bonds

About 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene

2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene (PubChem CID 67755947) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
PubChem CID67755947
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
SMILESCN1CCC(=C2c3ccccc3CCc3c2[nH]c2ccccc32)CC1
InChIInChI=1S/C23H24N2/c1-25-14-12-17(13-15-25)22-18-7-3-2-6-16(18)10-11-20-19-8-4-5-9-21(19)24-23(20)22/h2-9,24H,10-15H2,1H3
InChIKeyVIWFSXGSPGCURQ-UHFFFAOYSA-N
XLogP4.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
The IUPAC name of 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene (CID 67755947) is 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene.
What is the SMILES notation for 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
The canonical SMILES for 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene is CN1CCC(=C2c3ccccc3CCc3c2[nH]c2ccccc32)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
The InChIKey is VIWFSXGSPGCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-25-14-12-17(13-15-25)22-18-7-3-2-6-16(18)10-11-20-19-8-4-5-9-21(19)24-23(20)22/h2-9,24H,10-15H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene?
2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene has a molecular weight of 328.46 g/mol, XLogP of 4.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-ylidene)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene is sourced from PubChem (CID 67755947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).