2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide

C21H33N5O2 — CID 74579348

IUPAC2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc2n(c1=O)CC1CC2CN(C2CCN(C)CC2)C1
InChIInChI=1S/C21H33N5O2/c1-23(2)14-20(27)22-18-4-5-19-16-10-15(12-26(19)21(18)28)11-25(13-16)17-6-8-24(3)9-7-17/h4-5,15-17H,6-14H2,1-3H3,(H,22,27)
InChIKeyWYSPIXJPVDGRBE-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.86
Rot. Bonds4

About 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide

2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide (PubChem CID 74579348) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
PubChem CID74579348
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc2n(c1=O)CC1CC2CN(C2CCN(C)CC2)C1
InChIInChI=1S/C21H33N5O2/c1-23(2)14-20(27)22-18-4-5-19-16-10-15(12-26(19)21(18)28)11-25(13-16)17-6-8-24(3)9-7-17/h4-5,15-17H,6-14H2,1-3H3,(H,22,27)
InChIKeyWYSPIXJPVDGRBE-UHFFFAOYSA-N
XLogP0.86
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide (CID 74579348) is 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide is CN(C)CC(=O)Nc1ccc2n(c1=O)CC1CC2CN(C2CCN(C)CC2)C1.
What is the InChIKey of 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide?
The InChIKey is WYSPIXJPVDGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-23(2)14-20(27)22-18-4-5-19-16-10-15(12-26(19)21(18)28)11-25(13-16)17-6-8-24(3)9-7-17/h4-5,15-17H,6-14H2,1-3H3,(H,22,27).
What are the key properties of 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide?
2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide is sourced from PubChem (CID 74579348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).