2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid

C19H24N2O2S — CID 122042939

IUPAC2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-20(14-19(22)23)16-9-11-21(12-10-16)13-17-7-8-18(24-17)15-5-3-2-4-6-15/h2-8,16H,9-14H2,1H3,(H,22,23)
InChIKeyQUNGPBSHYHKVGB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.40
Rot. Bonds6

About 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid

2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122042939) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122042939
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-20(14-19(22)23)16-9-11-21(12-10-16)13-17-7-8-18(24-17)15-5-3-2-4-6-15/h2-8,16H,9-14H2,1H3,(H,22,23)
InChIKeyQUNGPBSHYHKVGB-UHFFFAOYSA-N
XLogP3.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
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
2-[[1-[[2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042923
1-[(5-phenylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040447
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[methyl-[1-[[5-(4-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042886
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
2-[[1-[[4-(4-chlorophenyl)phenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042922
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid (CID 122042939) is 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid is CN(CC(=O)O)C1CCN(Cc2ccc(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is QUNGPBSHYHKVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(14-19(22)23)16-9-11-21(12-10-16)13-17-7-8-18(24-17)15-5-3-2-4-6-15/h2-8,16H,9-14H2,1H3,(H,22,23).
What are the key properties of 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid?
2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 344.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122042939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).