2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone

C20H26N4O — CID 59285330

IUPAC2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone
SMILESCN1C2CCC1c1c(n(CC(=O)N3CCCCC3)c3ccncc13)C2
InChIInChI=1S/C20H26N4O/c1-22-14-5-6-17(22)20-15-12-21-8-7-16(15)24(18(20)11-14)13-19(25)23-9-3-2-4-10-23/h7-8,12,14,17H,2-6,9-11,13H2,1H3
InChIKeyRBESKTAMQFJPTN-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.74
Rot. Bonds2

About 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone

2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone (PubChem CID 59285330) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone
PubChem CID59285330
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone
SMILESCN1C2CCC1c1c(n(CC(=O)N3CCCCC3)c3ccncc13)C2
InChIInChI=1S/C20H26N4O/c1-22-14-5-6-17(22)20-15-12-21-8-7-16(15)24(18(20)11-14)13-19(25)23-9-3-2-4-10-23/h7-8,12,14,17H,2-6,9-11,13H2,1H3
InChIKeyRBESKTAMQFJPTN-UHFFFAOYSA-N
XLogP2.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone with MolForge

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Related Compounds

16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759372
ethyl 3-(5-iodo-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propanoate
CID 70899536
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
5,15-dimethyl-9-pyridin-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67544305
2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol
CID 70897571
3-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propanenitrile
CID 59285359
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
2-(4-chlorophenyl)-1-(5,15-dimethyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)propan-2-ol
CID 59285351
2-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103139050
(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
CID 143270082
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 3159855
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658

Frequently Asked Questions

What is the IUPAC name of 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone (CID 59285330) is 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone is CN1C2CCC1c1c(n(CC(=O)N3CCCCC3)c3ccncc13)C2.
What is the InChIKey of 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone?
The InChIKey is RBESKTAMQFJPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-14-5-6-17(22)20-15-12-21-8-7-16(15)24(18(20)11-14)13-19(25)23-9-3-2-4-10-23/h7-8,12,14,17H,2-6,9-11,13H2,1H3.
What are the key properties of 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone?
2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone has a molecular weight of 338.46 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 59285330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).