1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

C17H19ClN2O2S — CID 3455065

IUPAC1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(Cl)s2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C17H19ClN2O2S/c1-11-2-3-13(19-10-11)16(14-4-5-15(18)23-14)20-8-6-12(7-9-20)17(21)22/h2-5,10,12,16H,6-9H2,1H3,(H,21,22)
InChIKeyDVWQYUYONLWRSU-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.99
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3455065) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID3455065
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(c2ccc(Cl)s2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C17H19ClN2O2S/c1-11-2-3-13(19-10-11)16(14-4-5-15(18)23-14)20-8-6-12(7-9-20)17(21)22/h2-5,10,12,16H,6-9H2,1H3,(H,21,22)
InChIKeyDVWQYUYONLWRSU-UHFFFAOYSA-N
XLogP3.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[(5-methyl-2-pyridinyl)-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5157060
1-[(5-chlorothiophen-2-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5003314
1-[(5-chlorothiophen-2-yl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 4658011
1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 5227467
1-[(5-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4309563
1-[(5-chlorothiophen-2-yl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4316282
1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3280135

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 3455065) is 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is Cc1ccc(C(c2ccc(Cl)s2)N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is DVWQYUYONLWRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11-2-3-13(19-10-11)16(14-4-5-15(18)23-14)20-8-6-12(7-9-20)17(21)22/h2-5,10,12,16H,6-9H2,1H3,(H,21,22).
What are the key properties of 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 350.87 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3455065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).