8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione

C16H22N6O3 — CID 135464197

IUPAC8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
SMILESCN1C(=O)N2CCCCC2c2c1nc(C(=O)N1CCNCC1)[nH]c2=O
InChIInChI=1S/C16H22N6O3/c1-20-13-11(10-4-2-3-7-22(10)16(20)25)14(23)19-12(18-13)15(24)21-8-5-17-6-9-21/h10,17H,2-9H2,1H3,(H,18,19,23)
InChIKeyAOEFWGRDWFNZSP-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.09
Rot. Bonds1

About 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione

8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione (PubChem CID 135464197) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione.

Molecular Properties

Compound Name8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
PubChem CID135464197
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
SMILESCN1C(=O)N2CCCCC2c2c1nc(C(=O)N1CCNCC1)[nH]c2=O
InChIInChI=1S/C16H22N6O3/c1-20-13-11(10-4-2-3-7-22(10)16(20)25)14(23)19-12(18-13)15(24)21-8-5-17-6-9-21/h10,17H,2-9H2,1H3,(H,18,19,23)
InChIKeyAOEFWGRDWFNZSP-UHFFFAOYSA-N
XLogP-0.09
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione with MolForge

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Related Compounds

8-butyl-5-(pyrrolidine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione
CID 135492572
N,N,8-trimethyl-3,9-dioxo-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-5-carboxamide
CID 135492436
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
2-methyl-5-(pyrrolidine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849730
5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 82512056
(5R)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028123
(5S)-N-ethyl-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875762
2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926521
[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65168510
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717440
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135885511

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
The IUPAC name of 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione (CID 135464197) is 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione.
What is the SMILES notation for 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
The canonical SMILES for 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione is CN1C(=O)N2CCCCC2c2c1nc(C(=O)N1CCNCC1)[nH]c2=O.
What is the InChIKey of 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
The InChIKey is AOEFWGRDWFNZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-20-13-11(10-4-2-3-7-22(10)16(20)25)14(23)19-12(18-13)15(24)21-8-5-17-6-9-21/h10,17H,2-9H2,1H3,(H,18,19,23).
What are the key properties of 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione?
8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione has a molecular weight of 346.39 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(piperazine-1-carbonyl)-4,6,8,10-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),5-diene-3,9-dione is sourced from PubChem (CID 135464197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).