2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid

C22H28N2O3 — CID 122043217

IUPAC2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C22H28N2O3/c1-2-24(17-22(25)26)19-11-13-23(14-12-19)16-18-7-6-10-21(15-18)27-20-8-4-3-5-9-20/h3-10,15,19H,2,11-14,16-17H2,1H3,(H,25,26)
InChIKeyPBLOYXZYEQBYKZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds8

About 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122043217) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122043217
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C22H28N2O3/c1-2-24(17-22(25)26)19-11-13-23(14-12-19)16-18-7-6-10-21(15-18)27-20-8-4-3-5-9-20/h3-10,15,19H,2,11-14,16-17H2,1H3,(H,25,26)
InChIKeyPBLOYXZYEQBYKZ-UHFFFAOYSA-N
XLogP3.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42858284
2-[[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043079
N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131895443
2-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043247
2-[[1-[(2-bromo-4-methoxyphenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043148

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid (CID 122043217) is 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is PBLOYXZYEQBYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-24(17-22(25)26)19-11-13-23(14-12-19)16-18-7-6-10-21(15-18)27-20-8-4-3-5-9-20/h3-10,15,19H,2,11-14,16-17H2,1H3,(H,25,26).
What are the key properties of 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 368.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).