2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid

C22H24N2O5 — CID 119352027

IUPAC2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CCCN(C(=O)COc3ccccc3)C2)c1
InChIInChI=1S/C22H24N2O5/c25-20(15-29-19-9-2-1-3-10-19)24-11-5-7-17(14-24)22(28)23-18-8-4-6-16(12-18)13-21(26)27/h1-4,6,8-10,12,17H,5,7,11,13-15H2,(H,23,28)(H,26,27)
InChIKeyLIPVSVUOUFZKTC-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.57
Rot. Bonds7

About 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid

2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 119352027) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
PubChem CID119352027
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CCCN(C(=O)COc3ccccc3)C2)c1
InChIInChI=1S/C22H24N2O5/c25-20(15-29-19-9-2-1-3-10-19)24-11-5-7-17(14-24)22(28)23-18-8-4-6-16(12-18)13-21(26)27/h1-4,6,8-10,12,17H,5,7,11,13-15H2,(H,23,28)(H,26,27)
InChIKeyLIPVSVUOUFZKTC-UHFFFAOYSA-N
XLogP2.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]benzoic acid
CID 120528905
(3S)-1-[2-(4-nitrophenoxy)acetyl]-N-phenylpiperidine-3-carboxamide
CID 25493170
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid (CID 119352027) is 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2CCCN(C(=O)COc3ccccc3)C2)c1.
What is the InChIKey of 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is LIPVSVUOUFZKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-20(15-29-19-9-2-1-3-10-19)24-11-5-7-17(14-24)22(28)23-18-8-4-6-16(12-18)13-21(26)27/h1-4,6,8-10,12,17H,5,7,11,13-15H2,(H,23,28)(H,26,27).
What are the key properties of 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid?
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid has a molecular weight of 396.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119352027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).