2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid

C14H19NO4S — CID 61457828

IUPAC2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C14H19NO4S/c1-11(14(16)17)20(18,19)15-9-7-13(8-10-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeyLTJNMJRODPHTIR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid

2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 61457828) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
PubChem CID61457828
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C14H19NO4S/c1-11(14(16)17)20(18,19)15-9-7-13(8-10-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeyLTJNMJRODPHTIR-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839
2-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454190
2-(azocan-1-ylsulfonyl)propanoic acid
CID 61454612
2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 61457983
1-(chloromethylsulfonyl)-4-phenylpiperidine
CID 63664113
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 61458277
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
N,2-dimethyl-N-(4-phenylpiperidin-1-yl)propanamide
CID 67402424

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid (CID 61457828) is 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is LTJNMJRODPHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11(14(16)17)20(18,19)15-9-7-13(8-10-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid?
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 297.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 61457828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).