1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone

C19H26N6O — CID 58090895

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone
SMILESO=C(CN1CCn2c(cc3cnncc32)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H26N6O/c26-19(24-7-5-23(6-8-24)16-2-1-3-16)14-22-4-9-25-17(13-22)10-15-11-20-21-12-18(15)25/h10-12,16H,1-9,13-14H2
InChIKeyRBEXPLDAYUZTAY-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone (PubChem CID 58090895) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone
PubChem CID58090895
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone
SMILESO=C(CN1CCn2c(cc3cnncc32)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H26N6O/c26-19(24-7-5-23(6-8-24)16-2-1-3-16)14-22-4-9-25-17(13-22)10-15-11-20-21-12-18(15)25/h10-12,16H,1-9,13-14H2
InChIKeyRBEXPLDAYUZTAY-UHFFFAOYSA-N
XLogP0.94
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone with MolForge

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-(1,3,4,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-11-yl)ethanone
CID 58090880
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 57442857
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 58826219
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
1-(4-cyclobutylpiperazin-1-yl)-2-(8-pyridazin-3-yl-3,4,7,8-tetrahydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
CID 71045653
1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579
1-(4-cyclobutylpiperazin-1-yl)-2-(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420859
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-fluoropyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 58826314
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone (CID 58090895) is 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone is O=C(CN1CCn2c(cc3cnncc32)C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone?
The InChIKey is RBEXPLDAYUZTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(24-7-5-23(6-8-24)16-2-1-3-16)14-22-4-9-25-17(13-22)10-15-11-20-21-12-18(15)25/h10-12,16H,1-9,13-14H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone has a molecular weight of 354.46 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-(1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-11-yl)ethanone is sourced from PubChem (CID 58090895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).