2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid

C22H28N2O4 — CID 110161396

IUPAC2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)C1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H28N2O4/c1-27-20-9-5-3-7-17(20)15-24(16-22(25)26)18-11-13-23(14-12-18)19-8-4-6-10-21(19)28-2/h3-10,18H,11-16H2,1-2H3,(H,25,26)
InChIKeyAYLHVPYTXSSKAH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.26
Rot. Bonds8

About 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid

2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid (PubChem CID 110161396) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
PubChem CID110161396
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)C1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H28N2O4/c1-27-20-9-5-3-7-17(20)15-24(16-22(25)26)18-11-13-23(14-12-18)19-8-4-6-10-21(19)28-2/h3-10,18H,11-16H2,1-2H3,(H,25,26)
InChIKeyAYLHVPYTXSSKAH-UHFFFAOYSA-N
XLogP3.26
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
N-(cyclohexylmethyl)-2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 55828921
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid (CID 110161396) is 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid is COc1ccccc1CN(CC(=O)O)C1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid?
The InChIKey is AYLHVPYTXSSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-27-20-9-5-3-7-17(20)15-24(16-22(25)26)18-11-13-23(14-12-18)19-8-4-6-10-21(19)28-2/h3-10,18H,11-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid?
2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid has a molecular weight of 384.48 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 110161396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).