7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene

C22H23N3 — CID 145172535

IUPAC7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene
SMILESC1=CC2=C(C=CC1)C(C1CCN(c3ccccc3)CC1)n1cncc12
InChIInChI=1S/C22H23N3/c1-3-7-18(8-4-1)24-13-11-17(12-14-24)22-20-10-6-2-5-9-19(20)21-15-23-16-25(21)22/h1,3-10,15-17,22H,2,11-14H2
InChIKeySQBLJXSBOFKNGE-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.62
Rot. Bonds2

About 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene

7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene (PubChem CID 145172535) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene.

Molecular Properties

Compound Name7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene
PubChem CID145172535
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene
SMILESC1=CC2=C(C=CC1)C(C1CCN(c3ccccc3)CC1)n1cncc12
InChIInChI=1S/C22H23N3/c1-3-7-18(8-4-1)24-13-11-17(12-14-24)22-20-10-6-2-5-9-19(20)21-15-23-16-25(21)22/h1,3-10,15-17,22H,2,11-14H2
InChIKeySQBLJXSBOFKNGE-UHFFFAOYSA-N
XLogP4.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-phenylpiperidin-4-yl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
CID 130360722
ethane;5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole
CID 145172538
5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 134462553
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
CID 145172553
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
2-[4-[4-[4-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanamine
CID 134462576
2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
CID 122650593
(7R)-7-(4-phenylcyclohexyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene
CID 130360775
2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol
CID 122650490
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570

Frequently Asked Questions

What is the IUPAC name of 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene?
The IUPAC name of 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene (CID 145172535) is 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene.
What is the SMILES notation for 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene?
The canonical SMILES for 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene is C1=CC2=C(C=CC1)C(C1CCN(c3ccccc3)CC1)n1cncc12.
What is the InChIKey of 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene?
The InChIKey is SQBLJXSBOFKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-3-7-18(8-4-1)24-13-11-17(12-14-24)22-20-10-6-2-5-9-19(20)21-15-23-16-25(21)22/h1,3-10,15-17,22H,2,11-14H2.
What are the key properties of 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene?
7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene has a molecular weight of 329.45 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenylpiperidin-4-yl)-4,6-diazatricyclo[6.5.0.02,6]trideca-1(8),2,4,9,12-pentaene is sourced from PubChem (CID 145172535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).