N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide

C21H23N3O5 — CID 131908186

IUPACN-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCN1C(=O)COc2ccc(C(=O)N3CCC(CNC(=O)c4ccoc4)CC3)cc21
InChIInChI=1S/C21H23N3O5/c1-23-17-10-15(2-3-18(17)29-13-19(23)25)21(27)24-7-4-14(5-8-24)11-22-20(26)16-6-9-28-12-16/h2-3,6,9-10,12,14H,4-5,7-8,11,13H2,1H3,(H,22,26)
InChIKeyUDEHTAQKVAKMNW-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.92
Rot. Bonds4

About N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide

N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 131908186) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID131908186
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCN1C(=O)COc2ccc(C(=O)N3CCC(CNC(=O)c4ccoc4)CC3)cc21
InChIInChI=1S/C21H23N3O5/c1-23-17-10-15(2-3-18(17)29-13-19(23)25)21(27)24-7-4-14(5-8-24)11-22-20(26)16-6-9-28-12-16/h2-3,6,9-10,12,14H,4-5,7-8,11,13H2,1H3,(H,22,26)
InChIKeyUDEHTAQKVAKMNW-UHFFFAOYSA-N
XLogP1.92
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide with MolForge

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Related Compounds

4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 110801473
4-methyl-6-[4-(3-methylbutanoyl)piperazine-1-carbonyl]-1,4-benzoxazin-3-one
CID 110800893
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidine-3-carboxylic acid
CID 155912833
6-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 162632414
4-methyl-6-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]-1,4-benzoxazin-3-one
CID 110806908
6-[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 56907101
4-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,4-benzoxazin-3-one
CID 110809924
6-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 155506669
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 131908186) is N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is CN1C(=O)COc2ccc(C(=O)N3CCC(CNC(=O)c4ccoc4)CC3)cc21.
What is the InChIKey of N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is UDEHTAQKVAKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-23-17-10-15(2-3-18(17)29-13-19(23)25)21(27)24-7-4-14(5-8-24)11-22-20(26)16-6-9-28-12-16/h2-3,6,9-10,12,14H,4-5,7-8,11,13H2,1H3,(H,22,26).
What are the key properties of N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131908186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).