2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide

C16H24N4O3 — CID 120572330

IUPAC2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1NCCN(C(=O)COCC(=O)NCc2cccnc2)C1C
InChIInChI=1S/C16H24N4O3/c1-12-13(2)20(7-6-18-12)16(22)11-23-10-15(21)19-9-14-4-3-5-17-8-14/h3-5,8,12-13,18H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyHQUMJOHZWRFHTP-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.08
Rot. Bonds6

About 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 120572330) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID120572330
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1NCCN(C(=O)COCC(=O)NCc2cccnc2)C1C
InChIInChI=1S/C16H24N4O3/c1-12-13(2)20(7-6-18-12)16(22)11-23-10-15(21)19-9-14-4-3-5-17-8-14/h3-5,8,12-13,18H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyHQUMJOHZWRFHTP-UHFFFAOYSA-N
XLogP-0.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
2-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 120737468
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
CID 119362434
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-N-methylpyridine-3-sulfonamide
CID 120569880
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
2-(3-bromophenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120569813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 120572330) is 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide is CC1NCCN(C(=O)COCC(=O)NCc2cccnc2)C1C.
What is the InChIKey of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HQUMJOHZWRFHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-13(2)20(7-6-18-12)16(22)11-23-10-15(21)19-9-14-4-3-5-17-8-14/h3-5,8,12-13,18H,6-7,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 120572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).