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

C24H30N4O3 — CID 66716751

IUPAC4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-16(2)25-24(30)19-5-7-20(8-6-19)28-12-10-27(11-13-28)15-18-4-9-22-21(14-18)26-23(29)17(3)31-22/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyUXKMCVJLPPUHED-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.87
Rot. Bonds5

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

4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide (PubChem CID 66716751) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide
PubChem CID66716751
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-16(2)25-24(30)19-5-7-20(8-6-19)28-12-10-27(11-13-28)15-18-4-9-22-21(14-18)26-23(29)17(3)31-22/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyUXKMCVJLPPUHED-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
CID 66716807
N-ethyl-4-[4-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]benzamide
CID 66717241
6-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]piperazin-1-yl]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 158009004
4-[4-[(7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide
CID 76760523
methyl 4-[1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperidin-4-yl]benzoate
CID 66716973
N-methyl-4-[4-[(2-methyl-3-oxo-8-phenyl-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
CID 66716943
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
2-methyl-6-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 46926685
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 110770503
(2R)-2-methyl-6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 25328815
N-methyl-5-[4-[[(2S)-3-oxo-2-propyl-4H-1,4-benzoxazin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189750

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide (CID 66716751) is 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)C(C)O4)CC2)cc1.
What is the InChIKey of 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is UXKMCVJLPPUHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16(2)25-24(30)19-5-7-20(8-6-19)28-12-10-27(11-13-28)15-18-4-9-22-21(14-18)26-23(29)17(3)31-22/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide?
4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 66716751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).