1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid

C19H23NO4S — CID 4527953

IUPAC1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1cccs1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H23NO4S/c1-23-14-5-3-6-15(24-2)17(14)18(16-7-4-12-25-16)20-10-8-13(9-11-20)19(21)22/h3-7,12-13,18H,8-11H2,1-2H3,(H,21,22)
InChIKeyXQWBHEMXNMGYPG-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.65
Rot. Bonds6

About 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid

1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 4527953) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
PubChem CID4527953
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(OC)c1C(c1cccs1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H23NO4S/c1-23-14-5-3-6-15(24-2)17(14)18(16-7-4-12-25-16)20-10-8-13(9-11-20)19(21)22/h3-7,12-13,18H,8-11H2,1-2H3,(H,21,22)
InChIKeyXQWBHEMXNMGYPG-UHFFFAOYSA-N
XLogP3.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3910684
1-[(3-bromophenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5170728
1-[(2,6-dimethoxyphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3347504
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[(2,6-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3948201
1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241868
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3896061
3-methoxy-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171284135
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
CID 3634513
1-[(2,6-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4242446
1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4653143
1-[(2,6-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4022024

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid (CID 4527953) is 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid is COc1cccc(OC)c1C(c1cccs1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is XQWBHEMXNMGYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-23-14-5-3-6-15(24-2)17(14)18(16-7-4-12-25-16)20-10-8-13(9-11-20)19(21)22/h3-7,12-13,18H,8-11H2,1-2H3,(H,21,22).
What are the key properties of 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid?
1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 361.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4527953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).