2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid

C21H22N2O5 — CID 119224819

IUPAC2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H22N2O5/c24-19(25)14-28-18-8-4-7-17(13-18)22-20(26)15-9-11-23(12-10-15)21(27)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,26)(H,24,25)
InChIKeyFQVKDHXNTCDXQO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.64
Rot. Bonds6

About 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid

2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid (PubChem CID 119224819) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
PubChem CID119224819
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H22N2O5/c24-19(25)14-28-18-8-4-7-17(13-18)22-20(26)15-9-11-23(12-10-15)21(27)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,26)(H,24,25)
InChIKeyFQVKDHXNTCDXQO-UHFFFAOYSA-N
XLogP2.64
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677
N-[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 35604613
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid (CID 119224819) is 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is FQVKDHXNTCDXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-19(25)14-28-18-8-4-7-17(13-18)22-20(26)15-9-11-23(12-10-15)21(27)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,26)(H,24,25).
What are the key properties of 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 382.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 119224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).