N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide

C19H27N3O2 — CID 119048757

IUPACN,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide
SMILESCN(C)C(=O)CC1CCN(C2CCc3ccccc3NC2=O)CC1
InChIInChI=1S/C19H27N3O2/c1-21(2)18(23)13-14-9-11-22(12-10-14)17-8-7-15-5-3-4-6-16(15)20-19(17)24/h3-6,14,17H,7-13H2,1-2H3,(H,20,24)
InChIKeyFWNMWCZSLGZSNB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.13
Rot. Bonds3

About N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide

N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide (PubChem CID 119048757) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide
PubChem CID119048757
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide
SMILESCN(C)C(=O)CC1CCN(C2CCc3ccccc3NC2=O)CC1
InChIInChI=1S/C19H27N3O2/c1-21(2)18(23)13-14-9-11-22(12-10-14)17-8-7-15-5-3-4-6-16(15)20-19(17)24/h3-6,14,17H,7-13H2,1-2H3,(H,20,24)
InChIKeyFWNMWCZSLGZSNB-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide (CID 119048757) is N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide is CN(C)C(=O)CC1CCN(C2CCc3ccccc3NC2=O)CC1.
What is the InChIKey of N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide?
The InChIKey is FWNMWCZSLGZSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21(2)18(23)13-14-9-11-22(12-10-14)17-8-7-15-5-3-4-6-16(15)20-19(17)24/h3-6,14,17H,7-13H2,1-2H3,(H,20,24).
What are the key properties of N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide?
N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 119048757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).