1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

C21H23N3O3 — CID 11595736

IUPAC1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-14-3-2-4-17(11-14)24-9-7-15(8-10-24)21(26)22-16-5-6-19-18(12-16)23-20(25)13-27-19/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyLULQEEMGHQSVIL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (PubChem CID 11595736) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
PubChem CID11595736
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-14-3-2-4-17(11-14)24-9-7-15(8-10-24)21(26)22-16-5-6-19-18(12-16)23-20(25)13-27-19/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyLULQEEMGHQSVIL-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (CID 11595736) is 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is Cc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The InChIKey is LULQEEMGHQSVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-3-2-4-17(11-14)24-9-7-15(8-10-24)21(26)22-16-5-6-19-18(12-16)23-20(25)13-27-19/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11595736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).