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

C20H21N3O5 — CID 18146099

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O5/c24-18(12-23-15-4-1-2-5-16(15)28-13-19(23)25)21-14-7-9-22(10-8-14)20(26)17-6-3-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,21,24)
InChIKeyATZXVWQNAFMFSN-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.43
Rot. Bonds4

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

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18146099) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID18146099
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O5/c24-18(12-23-15-4-1-2-5-16(15)28-13-19(23)25)21-14-7-9-22(10-8-14)20(26)17-6-3-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,21,24)
InChIKeyATZXVWQNAFMFSN-UHFFFAOYSA-N
XLogP1.43
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18146133
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47031609
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 16613683
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
CID 119389632

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 18146099) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ATZXVWQNAFMFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-18(12-23-15-4-1-2-5-16(15)28-13-19(23)25)21-14-7-9-22(10-8-14)20(26)17-6-3-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,21,24).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18146099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).