1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone

C22H29N5O2 — CID 58090810

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
SMILESO=C(CN1CCc2c(oc3nc(C4CC4)ncc23)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H29N5O2/c28-20(27-10-8-26(9-11-27)16-2-1-3-16)14-25-7-6-17-18-12-23-21(15-4-5-15)24-22(18)29-19(17)13-25/h12,15-16H,1-11,13-14H2
InChIKeyVUWAECAOTVRAPQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone (PubChem CID 58090810) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
PubChem CID58090810
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
SMILESO=C(CN1CCc2c(oc3nc(C4CC4)ncc23)C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H29N5O2/c28-20(27-10-8-26(9-11-27)16-2-1-3-16)14-25-7-6-17-18-12-23-21(15-4-5-15)24-22(18)29-19(17)13-25/h12,15-16H,1-11,13-14H2
InChIKeyVUWAECAOTVRAPQ-UHFFFAOYSA-N
XLogP2.15
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone with MolForge

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-(11-cyclopropyl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl)ethanone
CID 58090907
1-(4-cyclobutylpiperazin-1-yl)-2-(5-methoxy-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 58090821
1-(4-cyclobutylpiperazin-1-yl)-2-(5-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 58090861
1-(4-cyclobutylpiperazin-1-yl)-2-(5-pyrimidin-5-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 58090912
5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-12-carboxamide
CID 58090892
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclobutylpiperazin-1-yl)-2-(5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 57420613
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
2-[6-(5-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57421076
4-[5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzoic acid
CID 68692951
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
5-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 59463571

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone (CID 58090810) is 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone is O=C(CN1CCc2c(oc3nc(C4CC4)ncc23)C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone?
The InChIKey is VUWAECAOTVRAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-20(27-10-8-26(9-11-27)16-2-1-3-16)14-25-7-6-17-18-12-23-21(15-4-5-15)24-22(18)29-19(17)13-25/h12,15-16H,1-11,13-14H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone has a molecular weight of 395.51 g/mol, XLogP of 2.15, 4 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-(5-cyclopropyl-8-oxa-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone is sourced from PubChem (CID 58090810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).