4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide

C19H20N4O3 — CID 110664161

IUPAC4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide
SMILESO=C1COc2c(cccc2N2CCN(C(=O)Nc3ccccc3)CC2)N1
InChIInChI=1S/C19H20N4O3/c24-17-13-26-18-15(21-17)7-4-8-16(18)22-9-11-23(12-10-22)19(25)20-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)(H,21,24)
InChIKeyPSUKOVFROOTMFU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.37
Rot. Bonds2

About 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide

4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 110664161) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID110664161
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide
SMILESO=C1COc2c(cccc2N2CCN(C(=O)Nc3ccccc3)CC2)N1
InChIInChI=1S/C19H20N4O3/c24-17-13-26-18-15(21-17)7-4-8-16(18)22-9-11-23(12-10-22)19(25)20-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)(H,21,24)
InChIKeyPSUKOVFROOTMFU-UHFFFAOYSA-N
XLogP2.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
CID 110664148
8-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one
CID 110664099
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 78893189
8-[4-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one
CID 122196008
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
CID 3044286
4-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-1-carboxylic acid
CID 69414379
(2S)-2-methyl-4-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperazine-1-carboxamide
CID 125156301

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide (CID 110664161) is 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide is O=C1COc2c(cccc2N2CCN(C(=O)Nc3ccccc3)CC2)N1.
What is the InChIKey of 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is PSUKOVFROOTMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17-13-26-18-15(21-17)7-4-8-16(18)22-9-11-23(12-10-22)19(25)20-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)(H,21,24).
What are the key properties of 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide?
4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-4H-1,4-benzoxazin-8-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110664161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).