N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide

C16H21N5O4 — CID 39163407

IUPACN'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide
SMILESCC(=O)NNC(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C16H21N5O4/c1-11(22)18-19-15(23)9-21-13-8-12(20-6-4-17-5-7-20)2-3-14(13)25-10-16(21)24/h2-3,8,17H,4-7,9-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyHVWWVYYLVNSTKU-UHFFFAOYSA-N
MW347.38 g/mol
LogP-1.01
Rot. Bonds3

About N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide

N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide (PubChem CID 39163407) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide
PubChem CID39163407
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC NameN'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide
SMILESCC(=O)NNC(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C16H21N5O4/c1-11(22)18-19-15(23)9-21-13-8-12(20-6-4-17-5-7-20)2-3-14(13)25-10-16(21)24/h2-3,8,17H,4-7,9-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyHVWWVYYLVNSTKU-UHFFFAOYSA-N
XLogP-1.01
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxypropyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163477
N,N-diethyl-2-(3-oxo-7-piperazin-1-yl-1,4-benzoxazin-4-yl)acetamide
CID 39163327
4-(2-phenylethyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163443
7-piperazin-1-yl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39163399
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 37043497
2-[6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 53012847
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 15994004
2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119445560
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8559073
4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9237466
6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063360
N-(4-acetamidophenyl)-2-[3-oxo-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
CID 39086181

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide (CID 39163407) is N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide is CC(=O)NNC(=O)CN1C(=O)COc2ccc(N3CCNCC3)cc21.
What is the InChIKey of N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide?
The InChIKey is HVWWVYYLVNSTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-11(22)18-19-15(23)9-21-13-8-12(20-6-4-17-5-7-20)2-3-14(13)25-10-16(21)24/h2-3,8,17H,4-7,9-10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide?
N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide has a molecular weight of 347.38 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-oxo-6-piperazin-1-yl-1,4-benzoxazin-4-yl)acetohydrazide is sourced from PubChem (CID 39163407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).