7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

C19H24N4O3 — CID 110214257

IUPAC7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC(C)C3)c(=O)c21
InChIInChI=1S/C19H24N4O3/c1-4-22-15-8-13(3)26-18(15)14-9-20-23(19(25)17(14)22)11-16(24)21-7-5-6-12(2)10-21/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHZZWSOYOINFRKX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.53
Rot. Bonds3

About 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (PubChem CID 110214257) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.

Molecular Properties

Compound Name7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
PubChem CID110214257
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC(C)C3)c(=O)c21
InChIInChI=1S/C19H24N4O3/c1-4-22-15-8-13(3)26-18(15)14-9-20-23(19(25)17(14)22)11-16(24)21-7-5-6-12(2)10-21/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHZZWSOYOINFRKX-UHFFFAOYSA-N
XLogP2.53
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one with MolForge

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Related Compounds

7-ethyl-4-methyl-10-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 95798027
7-ethyl-10-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 46959161
7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16670655
10-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-7-prop-2-enyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 46959170
N-cyclopentyl-2-(7-ethyl-4-methyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 16670609
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-4-one
CID 20892082
10-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-methyl-7-prop-2-enyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16670224
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
4,7-dimethyl-10-(2-oxo-2-pyrrolidin-1-ylethyl)-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16670246
2-(7-ethyl-4-methyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(2-methylcyclohexyl)acetamide
CID 16670463
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 20880024

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The IUPAC name of 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (CID 110214257) is 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.
What is the SMILES notation for 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The canonical SMILES for 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC(C)C3)c(=O)c21.
What is the InChIKey of 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The InChIKey is HZZWSOYOINFRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-22-15-8-13(3)26-18(15)14-9-20-23(19(25)17(14)22)11-16(24)21-7-5-6-12(2)10-21/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one has a molecular weight of 356.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is sourced from PubChem (CID 110214257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).