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

C22H28N2O3 — CID 122042919

IUPAC2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C22H28N2O3/c1-23(16-22(25)26)20-10-12-24(13-11-20)15-19-8-5-9-21(14-19)27-17-18-6-3-2-4-7-18/h2-9,14,20H,10-13,15-17H2,1H3,(H,25,26)
InChIKeyPNHBVDLXMQCHHU-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.25
Rot. Bonds8

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

2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122042919) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122042919
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C22H28N2O3/c1-23(16-22(25)26)20-10-12-24(13-11-20)15-19-8-5-9-21(14-19)27-17-18-6-3-2-4-7-18/h2-9,14,20H,10-13,15-17H2,1H3,(H,25,26)
InChIKeyPNHBVDLXMQCHHU-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3545948
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid (CID 122042919) is 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid is CN(CC(=O)O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is PNHBVDLXMQCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(16-22(25)26)20-10-12-24(13-11-20)15-19-8-5-9-21(14-19)27-17-18-6-3-2-4-7-18/h2-9,14,20H,10-13,15-17H2,1H3,(H,25,26).
What are the key properties of 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 368.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122042919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).