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

C19H24N4O4 — CID 46959161

IUPAC7-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
SMILESCCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC(CO)C3)c(=O)c21
InChIInChI=1S/C19H24N4O4/c1-3-22-15-7-12(2)27-18(15)14-8-20-23(19(26)17(14)22)10-16(25)21-6-4-5-13(9-21)11-24/h7-8,13,24H,3-6,9-11H2,1-2H3
InChIKeyOPVIKCVECXRNKZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.50
Rot. Bonds4

About 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

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 (PubChem CID 46959161) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID46959161
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name7-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
SMILESCCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC(CO)C3)c(=O)c21
InChIInChI=1S/C19H24N4O4/c1-3-22-15-7-12(2)27-18(15)14-8-20-23(19(26)17(14)22)10-16(25)21-6-4-5-13(9-21)11-24/h7-8,13,24H,3-6,9-11H2,1-2H3
InChIKeyOPVIKCVECXRNKZ-UHFFFAOYSA-N
XLogP1.50
TPSA93.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
1-ethyl-3-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 110886835
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
2-[2-[(4R)-4-ethylazepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 99481238
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-(3-amino-1,2,4-triazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54901528

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCC(CO)C3)c(=O)c21.
What is the InChIKey of 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?
The InChIKey is OPVIKCVECXRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-22-15-7-12(2)27-18(15)14-8-20-23(19(26)17(14)22)10-16(25)21-6-4-5-13(9-21)11-24/h7-8,13,24H,3-6,9-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 372.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46959161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).