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

C23H27N3O3 — CID 11610880

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C23H27N3O3/c1-15(2)18-5-3-4-6-20(18)26-11-9-16(10-12-26)23(28)24-17-7-8-21-19(13-17)25-22(27)14-29-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDCEKQJJHTPZBRY-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.00
Rot. Bonds4

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

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 11610880) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID11610880
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C23H27N3O3/c1-15(2)18-5-3-4-6-20(18)26-11-9-16(10-12-26)23(28)24-17-7-8-21-19(13-17)25-22(27)14-29-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDCEKQJJHTPZBRY-UHFFFAOYSA-N
XLogP4.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 71611910
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
8-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 44315382
N-(2,6-Dimethyl-phenyl)-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 3224951
2-(2,6-Dimethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(4-methoxy-phenyl)-acetamide
CID 3225026
4-[2-(4-Ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16299176
7-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9836900
6-(4-p-Tolyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9902381
7-(4-p-Tolyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9902382
7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 9946469
6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9967004
6-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 9968343

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 11610880) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is DCEKQJJHTPZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)18-5-3-4-6-20(18)26-11-9-16(10-12-26)23(28)24-17-7-8-21-19(13-17)25-22(27)14-29-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-(2-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 11610880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).