2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid

C22H27N3O3 — CID 156555845

IUPAC2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CC(=O)Nc2cccc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2,21(27)28)17-11-9-16(10-12-17)15-20(26)24-18-7-6-8-19(23-18)25-13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H,27,28)(H,23,24,26)
InChIKeyKFZNMFHUYWEUJU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.62
Rot. Bonds6

About 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid

2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid (PubChem CID 156555845) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid
PubChem CID156555845
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(CC(=O)Nc2cccc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H27N3O3/c1-22(2,21(27)28)17-11-9-16(10-12-17)15-20(26)24-18-7-6-8-19(23-18)25-13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H,27,28)(H,23,24,26)
InChIKeyKFZNMFHUYWEUJU-UHFFFAOYSA-N
XLogP3.62
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid (CID 156555845) is 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(CC(=O)Nc2cccc(N3CCCCC3)n2)cc1.
What is the InChIKey of 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid?
The InChIKey is KFZNMFHUYWEUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,21(27)28)17-11-9-16(10-12-17)15-20(26)24-18-7-6-8-19(23-18)25-13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H,27,28)(H,23,24,26).
What are the key properties of 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid?
2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid has a molecular weight of 381.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid is sourced from PubChem (CID 156555845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).