4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide

C24H27F2N3O5 — CID 55694085

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1OC(F)F
InChIInChI=1S/C24H27F2N3O5/c1-15-5-3-4-6-18(15)23(32)28-17-9-11-29(12-10-17)21(30)14-27-22(31)16-7-8-19(34-24(25)26)20(13-16)33-2/h3-8,13,17,24H,9-12,14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyPJKLKCNZWSJDAI-UHFFFAOYSA-N
MW475.49 g/mol
LogP2.76
Rot. Bonds8

About 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 55694085) has the molecular formula C24H27F2N3O5 and a molecular weight of 475.49 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID55694085
Molecular FormulaC24H27F2N3O5
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1OC(F)F
InChIInChI=1S/C24H27F2N3O5/c1-15-5-3-4-6-18(15)23(32)28-17-9-11-29(12-10-17)21(30)14-27-22(31)16-7-8-19(34-24(25)26)20(13-16)33-2/h3-8,13,17,24H,9-12,14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyPJKLKCNZWSJDAI-UHFFFAOYSA-N
XLogP2.76
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55588222
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-[2-(2-cyclobutylpyrrolidin-1-yl)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 154745313
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 16589746
N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512397
3,4-dimethoxy-N-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]benzamide
CID 37033418
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide (CID 55694085) is 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is PJKLKCNZWSJDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O5/c1-15-5-3-4-6-18(15)23(32)28-17-9-11-29(12-10-17)21(30)14-27-22(31)16-7-8-19(34-24(25)26)20(13-16)33-2/h3-8,13,17,24H,9-12,14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 475.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55694085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).