13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C24H27ClN2 — CID 155537274

IUPAC13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H27ClN2/c25-20-9-10-22-19(16-20)8-7-18-4-3-13-26-24(18)23(22)17-11-14-27(15-12-17)21-5-1-2-6-21/h3-4,9-10,13,16,21H,1-2,5-8,11-12,14-15H2
InChIKeyAXHMAORLSJFVEW-UHFFFAOYSA-N
MW378.95 g/mol
LogP5.67
Rot. Bonds1

About 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 155537274) has the molecular formula C24H27ClN2 and a molecular weight of 378.95 g/mol. Its IUPAC name is 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID155537274
Molecular FormulaC24H27ClN2
Molecular Weight378.95 g/mol
Exact Mass378.19
IUPAC Name13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCCC2)CC1
InChIInChI=1S/C24H27ClN2/c25-20-9-10-22-19(16-20)8-7-18-4-3-13-26-24(18)23(22)17-11-14-27(15-12-17)21-5-1-2-6-21/h3-4,9-10,13,16,21H,1-2,5-8,11-12,14-15H2
InChIKeyAXHMAORLSJFVEW-UHFFFAOYSA-N
XLogP5.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.95
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 155537274) is 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCCC2)CC1.
What is the InChIKey of 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is AXHMAORLSJFVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2/c25-20-9-10-22-19(16-20)8-7-18-4-3-13-26-24(18)23(22)17-11-14-27(15-12-17)21-5-1-2-6-21/h3-4,9-10,13,16,21H,1-2,5-8,11-12,14-15H2.
What are the key properties of 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 378.95 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-2-(1-cyclopentylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 155537274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).