2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide

C17H24N4O3 — CID 74244540

IUPAC2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESO=C(CN1CCN(C(=O)C2CCOCC2)CC1)Nc1cccnc1
InChIInChI=1S/C17H24N4O3/c22-16(19-15-2-1-5-18-12-15)13-20-6-8-21(9-7-20)17(23)14-3-10-24-11-4-14/h1-2,5,12,14H,3-4,6-11,13H2,(H,19,22)
InChIKeyAJVBWQPTBOZVJJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.59
Rot. Bonds4

About 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide

2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 74244540) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID74244540
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESO=C(CN1CCN(C(=O)C2CCOCC2)CC1)Nc1cccnc1
InChIInChI=1S/C17H24N4O3/c22-16(19-15-2-1-5-18-12-15)13-20-6-8-21(9-7-20)17(23)14-3-10-24-11-4-14/h1-2,5,12,14H,3-4,6-11,13H2,(H,19,22)
InChIKeyAJVBWQPTBOZVJJ-UHFFFAOYSA-N
XLogP0.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
N-(4-iodophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55355785
N-phenyl-2-[4-(1-pyrazin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 43062241
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
CID 119840839
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-phenylacetamide
CID 120797578
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
2-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 55201182
2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
CID 75381420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide (CID 74244540) is 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide is O=C(CN1CCN(C(=O)C2CCOCC2)CC1)Nc1cccnc1.
What is the InChIKey of 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is AJVBWQPTBOZVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16(19-15-2-1-5-18-12-15)13-20-6-8-21(9-7-20)17(23)14-3-10-24-11-4-14/h1-2,5,12,14H,3-4,6-11,13H2,(H,19,22).
What are the key properties of 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide?
2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 332.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 74244540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).