N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide

C22H26N4O3 — CID 66716807

IUPACN-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyWUMWUCZSMPMERM-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.09
Rot. Bonds4

About N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide

N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide (PubChem CID 66716807) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
PubChem CID66716807
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyWUMWUCZSMPMERM-UHFFFAOYSA-N
XLogP2.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide with MolForge

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Related Compounds

N-ethyl-4-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]benzamide
CID 66717241
4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide
CID 66716751
N-methyl-4-[4-[(2-methyl-3-oxo-8-phenyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
CID 66716943
6-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]piperazin-1-yl]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 158009004
6-[4-[[(2S)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]-N-methylpyridine-3-carboxamide
CID 169189611
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
N-cyclopropyl-2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]acetamide
CID 66717065
4-[1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]benzoic acid
CID 66717295
N-methyl-5-[4-[(3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189640
N-methyl-5-[4-[[(2S)-3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189750
methyl 4-[1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]benzoate
CID 66716973
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide (CID 66716807) is N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide?
The InChIKey is WUMWUCZSMPMERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide?
N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 66716807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).