N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide

C18H26N4O3 — CID 39163327

IUPACN,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)COc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C18H26N4O3/c1-3-20(4-2)17(23)12-22-15-6-5-14(21-9-7-19-8-10-21)11-16(15)25-13-18(22)24/h5-6,11,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyJWIWHOQXBLZEGR-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.69
Rot. Bonds5

About N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide

N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39163327) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
PubChem CID39163327
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)COc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C18H26N4O3/c1-3-20(4-2)17(23)12-22-15-6-5-14(21-9-7-19-8-10-21)11-16(15)25-13-18(22)24/h5-6,11,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyJWIWHOQXBLZEGR-UHFFFAOYSA-N
XLogP0.69
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39163399
N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide
CID 39163407
4-(3-hydroxypropyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163477
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39161811
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-1,4-benzoxazin-3-one
CID 46857251
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 55687904
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 38967504
2-(7-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 70898644
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552726
N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
CID 46857198
4-(2-phenylethyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163443
N,N-diethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012382

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide (CID 39163327) is N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide is CCN(CC)C(=O)CN1C(=O)COc2cc(N3CCNCC3)ccc21.
What is the InChIKey of N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is JWIWHOQXBLZEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-20(4-2)17(23)12-22-15-6-5-14(21-9-7-19-8-10-21)11-16(15)25-13-18(22)24/h5-6,11,19H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide?
N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39163327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).