N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C17H23N3O3 — CID 91054564

IUPACN-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC(CC(=O)NC1CCN(C)CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-12(11-16(21)18-13-7-9-19(2)10-8-13)20-14-5-3-4-6-15(14)23-17(20)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)
InChIKeySDCUAFIHUPVVSV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.76
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 91054564) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID91054564
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC(CC(=O)NC1CCN(C)CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C17H23N3O3/c1-12(11-16(21)18-13-7-9-19(2)10-8-13)20-14-5-3-4-6-15(14)23-17(20)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,21)
InChIKeySDCUAFIHUPVVSV-UHFFFAOYSA-N
XLogP1.76
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 24542983
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42934146
3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18886776
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9286106
2-methyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 115164987
[(1R)-1-cyclopropylethyl] (2R)-2-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 95173634
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
3-[(2R)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 95977734

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 91054564) is N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CC(CC(=O)NC1CCN(C)CC1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is SDCUAFIHUPVVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(11-16(21)18-13-7-9-19(2)10-8-13)20-14-5-3-4-6-15(14)23-17(20)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 317.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 91054564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).