6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one

C21H23N3O3 — CID 649525

IUPAC6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCCC1c1cccnc1)C(=O)CO2
InChIInChI=1S/C21H23N3O3/c1-15-7-8-19-18(11-15)24(21(26)14-27-19)13-20(25)23-10-3-2-6-17(23)16-5-4-9-22-12-16/h4-5,7-9,11-12,17H,2-3,6,10,13-14H2,1H3
InChIKeyRUNQLAQIGYOBGP-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.87
Rot. Bonds3

About 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one

6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one (PubChem CID 649525) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
PubChem CID649525
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCCC1c1cccnc1)C(=O)CO2
InChIInChI=1S/C21H23N3O3/c1-15-7-8-19-18(11-15)24(21(26)14-27-19)13-20(25)23-10-3-2-6-17(23)16-5-4-9-22-12-16/h4-5,7-9,11-12,17H,2-3,6,10,13-14H2,1H3
InChIKeyRUNQLAQIGYOBGP-UHFFFAOYSA-N
XLogP2.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 9979309
4-Ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 10048342
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 10452875
4-Methyl-7-pyridin-3-yl-1,4-benzoxazin-3-one
CID 44482245
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-methyl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 118123942
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(5-methyl-2-furanyl)methyl]-N-(3-pyridinylmethyl)acetamide
CID 645989
N-Benzyl-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-2-ylmethyl-acetamide
CID 649186
N-(2-Fluoro-benzyl)-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-3-ylmethyl-acetamide
CID 650865
N-Benzyl-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-2-ylmethyl-acetamide
CID 652735
N-(3-Fluoro-benzyl)-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-pyridin-3-ylmethyl-acetamide
CID 655205
2-Methyl-4-pyridin-3-ylmethyl-4H-benzo[1,4]oxazin-3-one
CID 655824

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one (CID 649525) is 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CC(=O)N1CCCCC1c1cccnc1)C(=O)CO2.
What is the InChIKey of 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one?
The InChIKey is RUNQLAQIGYOBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-7-8-19-18(11-15)24(21(26)14-27-19)13-20(25)23-10-3-2-6-17(23)16-5-4-9-22-12-16/h4-5,7-9,11-12,17H,2-3,6,10,13-14H2,1H3.
What are the key properties of 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one?
6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one has a molecular weight of 365.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 649525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).