11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene

C23H27N5 — CID 19377710

IUPAC11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene
SMILESCn1ccc2c1CCn1ccnc1C2=C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C23H27N5/c1-26-12-8-20-21(26)9-16-28-17-11-25-23(28)22(20)18-5-13-27(14-6-18)15-7-19-4-2-3-10-24-19/h2-4,8,10-12,17H,5-7,9,13-16H2,1H3
InChIKeyJHGDIAYGYQXPPU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.31
Rot. Bonds3

About 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene

11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene (PubChem CID 19377710) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene.

Molecular Properties

Compound Name11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene
PubChem CID19377710
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene
SMILESCn1ccc2c1CCn1ccnc1C2=C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C23H27N5/c1-26-12-8-20-21(26)9-16-28-17-11-25-23(28)22(20)18-5-13-27(14-6-18)15-7-19-4-2-3-10-24-19/h2-4,8,10-12,17H,5-7,9,13-16H2,1H3
InChIKeyJHGDIAYGYQXPPU-UHFFFAOYSA-N
XLogP3.31
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene with MolForge

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Related Compounds

4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
ethyl 4-(5,6-dihydroimidazo[2,1-b][3]benzazepin-11-ylidene)piperidine-1-carboxylate
CID 122579357
2-cyclopropyl-1-methyl-5-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 71932513
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
8-(2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridine
CID 24731695
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
CID 71973108
3,3-dimethyl-1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 64942804

Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
The IUPAC name of 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene (CID 19377710) is 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene.
What is the SMILES notation for 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
The canonical SMILES for 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene is Cn1ccc2c1CCn1ccnc1C2=C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
The InChIKey is JHGDIAYGYQXPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-26-12-8-20-21(26)9-16-28-17-11-25-23(28)22(20)18-5-13-27(14-6-18)15-7-19-4-2-3-10-24-19/h2-4,8,10-12,17H,5-7,9,13-16H2,1H3.
What are the key properties of 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene?
11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene has a molecular weight of 373.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-[1-(2-pyridin-2-ylethyl)piperidin-4-ylidene]-4,7,11-triazatricyclo[8.3.0.03,7]trideca-1(10),3,5,12-tetraene is sourced from PubChem (CID 19377710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).