12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide

C24H23Cl3N4O — CID 69163024

IUPAC12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
SMILESO=C(c1[nH]nc2c1CCCc1cc(Cl)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(18)28-29-23(19)24(32)31(30-11-2-1-3-12-30)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,28,29)
InChIKeyWILZAXINVHFTCS-UHFFFAOYSA-N
MW489.83 g/mol
LogP6.57
Rot. Bonds3

About 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide

12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide (PubChem CID 69163024) has the molecular formula C24H23Cl3N4O and a molecular weight of 489.83 g/mol. Its IUPAC name is 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
PubChem CID69163024
Molecular FormulaC24H23Cl3N4O
Molecular Weight489.83 g/mol
Exact Mass488.09
IUPAC Name12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
SMILESO=C(c1[nH]nc2c1CCCc1cc(Cl)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(18)28-29-23(19)24(32)31(30-11-2-1-3-12-30)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,28,29)
InChIKeyWILZAXINVHFTCS-UHFFFAOYSA-N
XLogP6.57
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.83
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69165691
7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164000
N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164180
N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69164163
3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
CID 123444229
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 11548078
N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953929
3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid
CID 11567228
6-(azepan-1-yl)-N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69163357
3-butyl-1-(2,4-dichlorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 7566011
8,9-dichloro-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide
CID 82251977

Frequently Asked Questions

What is the IUPAC name of 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide?
The IUPAC name of 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide (CID 69163024) is 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide?
The canonical SMILES for 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide is O=C(c1[nH]nc2c1CCCc1cc(Cl)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide?
The InChIKey is WILZAXINVHFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(18)28-29-23(19)24(32)31(30-11-2-1-3-12-30)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,28,29).
What are the key properties of 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide?
12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide has a molecular weight of 489.83 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 69163024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).