1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid

C17H20N2O2S — CID 3914852

IUPAC1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1cnccc1C(c1ccsc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20N2O2S/c1-12-10-18-6-2-15(12)16(14-5-9-22-11-14)19-7-3-13(4-8-19)17(20)21/h2,5-6,9-11,13,16H,3-4,7-8H2,1H3,(H,20,21)
InChIKeyINSGXFUEOUWMQP-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.34
Rot. Bonds4

About 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid

1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3914852) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3914852
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1cnccc1C(c1ccsc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20N2O2S/c1-12-10-18-6-2-15(12)16(14-5-9-22-11-14)19-7-3-13(4-8-19)17(20)21/h2,5-6,9-11,13,16H,3-4,7-8H2,1H3,(H,20,21)
InChIKeyINSGXFUEOUWMQP-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-4-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 4236669
1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4587706
1-[(2-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5007255
1-[1-benzothiophen-3-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid
CID 3582115
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
CID 3634513
1-[(3-methyl-4-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3664312
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(3-methyl-4-pyridinyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 3521206
1-[(4-fluorophenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4693784
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5091843
1-[(3,5-dimethylphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4043880
1-[(5-chlorothiophen-2-yl)-(3-methyl-4-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3561730

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid (CID 3914852) is 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid is Cc1cnccc1C(c1ccsc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is INSGXFUEOUWMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-10-18-6-2-15(12)16(14-5-9-22-11-14)19-7-3-13(4-8-19)17(20)21/h2,5-6,9-11,13,16H,3-4,7-8H2,1H3,(H,20,21).
What are the key properties of 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid?
1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 316.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-pyridinyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3914852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).