2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide

C18H24N4O4 — CID 22197271

IUPAC2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H24N4O4/c19-17(24)13-4-1-2-5-14(13)20-16(23)12-21-7-9-22(10-8-21)18(25)15-6-3-11-26-15/h1-2,4-5,15H,3,6-12H2,(H2,19,24)(H,20,23)
InChIKeyUQFOWIVFUMQXIL-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.05
Rot. Bonds5

About 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide

2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 22197271) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID22197271
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H24N4O4/c19-17(24)13-4-1-2-5-14(13)20-16(23)12-21-7-9-22(10-8-21)18(25)15-6-3-11-26-15/h1-2,4-5,15H,3,6-12H2,(H2,19,24)(H,20,23)
InChIKeyUQFOWIVFUMQXIL-UHFFFAOYSA-N
XLogP0.05
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 166005001
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
2-[[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9209065

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide (CID 22197271) is 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is UQFOWIVFUMQXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c19-17(24)13-4-1-2-5-14(13)20-16(23)12-21-7-9-22(10-8-21)18(25)15-6-3-11-26-15/h1-2,4-5,15H,3,6-12H2,(H2,19,24)(H,20,23).
What are the key properties of 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 22197271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).