13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene

C22H26N4O — CID 78055436

IUPAC13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
SMILESCC1CCN(Cc2ccccc2)CC1N1COCc2cnc3[nH]ccc3c21
InChIInChI=1S/C22H26N4O/c1-16-8-10-25(12-17-5-3-2-4-6-17)13-20(16)26-15-27-14-18-11-24-22-19(21(18)26)7-9-23-22/h2-7,9,11,16,20H,8,10,12-15H2,1H3,(H,23,24)
InChIKeyNOTVIPQDRPTYJV-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.77
Rot. Bonds3

About 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene

13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene (PubChem CID 78055436) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene.

Molecular Properties

Compound Name13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
PubChem CID78055436
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
SMILESCC1CCN(Cc2ccccc2)CC1N1COCc2cnc3[nH]ccc3c21
InChIInChI=1S/C22H26N4O/c1-16-8-10-25(12-17-5-3-2-4-6-17)13-20(16)26-15-27-14-18-11-24-22-19(21(18)26)7-9-23-22/h2-7,9,11,16,20H,8,10,12-15H2,1H3,(H,23,24)
InChIKeyNOTVIPQDRPTYJV-UHFFFAOYSA-N
XLogP3.77
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 66726458
13-[(4R)-1-benzyl-4-methylpiperidin-3-yl]-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,7-triene
CID 144531808
4-(benzenesulfonyl)-3-(1-benzyl-3-methylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 67345112
N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 78038889
4-[[(3S)-1-benzylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595466
1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-9-(iodomethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 89411352
3-(1-benzylpiperidin-4-yl)-4-propan-2-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395153
N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282872
3-(1-benzylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58394456
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-[3-(1-benzylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 58395266
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868

Frequently Asked Questions

What is the IUPAC name of 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
The IUPAC name of 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene (CID 78055436) is 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene.
What is the SMILES notation for 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
The canonical SMILES for 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene is CC1CCN(Cc2ccccc2)CC1N1COCc2cnc3[nH]ccc3c21.
What is the InChIKey of 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
The InChIKey is NOTVIPQDRPTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-8-10-25(12-17-5-3-2-4-6-17)13-20(16)26-15-27-14-18-11-24-22-19(21(18)26)7-9-23-22/h2-7,9,11,16,20H,8,10,12-15H2,1H3,(H,23,24).
What are the key properties of 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene?
13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene has a molecular weight of 362.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(1-benzyl-4-methylpiperidin-3-yl)-11-oxa-5,7,13-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene is sourced from PubChem (CID 78055436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).