2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide

C17H29N3O2 — CID 119331793

IUPAC2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(C(=O)C2CC3CCCCC3N2)CC1
InChIInChI=1S/C17H29N3O2/c1-18-16(21)10-12-6-8-20(9-7-12)17(22)15-11-13-4-2-3-5-14(13)19-15/h12-15,19H,2-11H2,1H3,(H,18,21)
InChIKeyMBSHWEIACTVJQK-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.28
Rot. Bonds3

About 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide

2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 119331793) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
PubChem CID119331793
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(C(=O)C2CC3CCCCC3N2)CC1
InChIInChI=1S/C17H29N3O2/c1-18-16(21)10-12-6-8-20(9-7-12)17(22)15-11-13-4-2-3-5-14(13)19-15/h12-15,19H,2-11H2,1H3,(H,18,21)
InChIKeyMBSHWEIACTVJQK-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide (CID 119331793) is 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(C(=O)C2CC3CCCCC3N2)CC1.
What is the InChIKey of 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is MBSHWEIACTVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18-16(21)10-12-6-8-20(9-7-12)17(22)15-11-13-4-2-3-5-14(13)19-15/h12-15,19H,2-11H2,1H3,(H,18,21).
What are the key properties of 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 307.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 119331793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).