1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C22H23F2N3O5 — CID 41443703

IUPAC1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H23F2N3O5/c23-22(24)32-16-7-5-14(6-8-16)20(30)25-13-19(29)27-11-9-15(10-12-27)21(31)26-17-3-1-2-4-18(17)28/h1-8,15,22,28H,9-13H2,(H,25,30)(H,26,31)
InChIKeyDVJRWYVJUUQWMD-UHFFFAOYSA-N
MW447.44 g/mol
LogP2.60
Rot. Bonds7

About 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 41443703) has the molecular formula C22H23F2N3O5 and a molecular weight of 447.44 g/mol. Its IUPAC name is 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID41443703
Molecular FormulaC22H23F2N3O5
Molecular Weight447.44 g/mol
Exact Mass447.16
IUPAC Name1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H23F2N3O5/c23-22(24)32-16-7-5-14(6-8-16)20(30)25-13-19(29)27-11-9-15(10-12-27)21(31)26-17-3-1-2-4-18(17)28/h1-8,15,22,28H,9-13H2,(H,25,30)(H,26,31)
InChIKeyDVJRWYVJUUQWMD-UHFFFAOYSA-N
XLogP2.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
1-[2-(4-bromophenoxy)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920350
N-(2-methoxyphenyl)-1-[2-[(2-methylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 55653463
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920354
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
1-[2-(4-benzylpiperazin-1-yl)acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112822850
1-[2-[(4-butoxybenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952403

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 41443703) is 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is DVJRWYVJUUQWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O5/c23-22(24)32-16-7-5-14(6-8-16)20(30)25-13-19(29)27-11-9-15(10-12-27)21(31)26-17-3-1-2-4-18(17)28/h1-8,15,22,28H,9-13H2,(H,25,30)(H,26,31).
What are the key properties of 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 447.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(difluoromethoxy)benzoyl]amino]acetyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 41443703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).