1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

C22H25N3O3 — CID 11501768

IUPAC1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCCc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C22H25N3O3/c1-2-15-5-3-4-6-19(15)25-11-9-16(10-12-25)22(27)23-17-7-8-20-18(13-17)24-21(26)14-28-20/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyNFBAXQMDZSEUMQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (PubChem CID 11501768) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
PubChem CID11501768
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCCc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C22H25N3O3/c1-2-15-5-3-4-6-19(15)25-11-9-16(10-12-25)22(27)23-17-7-8-20-18(13-17)24-21(26)14-28-20/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyNFBAXQMDZSEUMQ-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (CID 11501768) is 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is CCc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The InChIKey is NFBAXQMDZSEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-15-5-3-4-6-19(15)25-11-9-16(10-12-25)22(27)23-17-7-8-20-18(13-17)24-21(26)14-28-20/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11501768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).