N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide

C21H23N3O5 — CID 53053398

IUPACN-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)NCc1ccco1
InChIInChI=1S/C21H23N3O5/c25-19(22-12-16-5-4-10-28-16)13-24-17-11-15(6-7-18(17)29-14-20(24)26)21(27)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12-14H2,(H,22,25)
InChIKeyUYHTWPKFDKIUCP-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.95
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide (PubChem CID 53053398) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
PubChem CID53053398
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)NCc1ccco1
InChIInChI=1S/C21H23N3O5/c25-19(22-12-16-5-4-10-28-16)13-24-17-11-15(6-7-18(17)29-14-20(24)26)21(27)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12-14H2,(H,22,25)
InChIKeyUYHTWPKFDKIUCP-UHFFFAOYSA-N
XLogP1.95
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide
CID 53012258
2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-2-ylacetamide
CID 53004283
N-(2-ethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012227
N-(furan-2-ylmethyl)-2-[3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-1,4-benzoxazin-4-yl]acetamide
CID 42847085
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012277
N-(4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 46344147
N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012262
4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012835
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-[2-(furan-2-yl)ethyl]-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 46353612
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 46522334
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide (CID 53053398) is N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide is O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is UYHTWPKFDKIUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c25-19(22-12-16-5-4-10-28-16)13-24-17-11-15(6-7-18(17)29-14-20(24)26)21(27)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12-14H2,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 53053398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).