2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

C21H24ClN3O4 — CID 46522334

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H24ClN3O4/c22-15-6-7-19-16(11-15)25(21(27)14-29-19)13-20(26)23-12-17(18-5-4-10-28-18)24-8-2-1-3-9-24/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,23,26)
InChIKeyWRYNLMBHVJEECZ-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.00
Rot. Bonds6

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 46522334) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
PubChem CID46522334
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H24ClN3O4/c22-15-6-7-19-16(11-15)25(21(27)14-29-19)13-20(26)23-12-17(18-5-4-10-28-18)24-8-2-1-3-9-24/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,23,26)
InChIKeyWRYNLMBHVJEECZ-UHFFFAOYSA-N
XLogP3.00
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 25491350
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 34943168
3-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 46605718
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 46438122
(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26002911
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (CID 46522334) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is WRYNLMBHVJEECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c22-15-6-7-19-16(11-15)25(21(27)14-29-19)13-20(26)23-12-17(18-5-4-10-28-18)24-8-2-1-3-9-24/h4-7,10-11,17H,1-3,8-9,12-14H2,(H,23,26).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 417.89 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 46522334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).