3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one

C24H26N2O5 — CID 25473352

IUPAC3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCn3c(=O)oc4ccccc43)CC2)cc1
InChIInChI=1S/C24H26N2O5/c1-30-19-10-8-17(9-11-19)23(28)18-12-15-25(16-13-18)22(27)7-4-14-26-20-5-2-3-6-21(20)31-24(26)29/h2-3,5-6,8-11,18H,4,7,12-16H2,1H3
InChIKeyZVTXBFOCGIUQKR-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.50
Rot. Bonds7

About 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one

3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one (PubChem CID 25473352) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
PubChem CID25473352
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCn3c(=O)oc4ccccc43)CC2)cc1
InChIInChI=1S/C24H26N2O5/c1-30-19-10-8-17(9-11-19)23(28)18-12-15-25(16-13-18)22(27)7-4-14-26-20-5-2-3-6-21(20)31-24(26)29/h2-3,5-6,8-11,18H,4,7,12-16H2,1H3
InChIKeyZVTXBFOCGIUQKR-UHFFFAOYSA-N
XLogP3.50
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[4-(4-benzoylpiperidin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one
CID 41309601
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575
3-[4-[(2S)-2-methylmorpholin-4-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 30035276
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
3-[4-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 95348365
3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 18098164
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
3-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one
CID 46669649
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one (CID 25473352) is 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one is COc1ccc(C(=O)C2CCN(C(=O)CCCn3c(=O)oc4ccccc43)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one?
The InChIKey is ZVTXBFOCGIUQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-30-19-10-8-17(9-11-19)23(28)18-12-15-25(16-13-18)22(27)7-4-14-26-20-5-2-3-6-21(20)31-24(26)29/h2-3,5-6,8-11,18H,4,7,12-16H2,1H3.
What are the key properties of 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one?
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 25473352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).