3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid

C21H24N2O3 — CID 120536454

IUPAC3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
SMILESCc1cccc(-c2cncc(C(=O)N3CCCC(CCC(=O)O)C3)c2)c1
InChIInChI=1S/C21H24N2O3/c1-15-4-2-6-17(10-15)18-11-19(13-22-12-18)21(26)23-9-3-5-16(14-23)7-8-20(24)25/h2,4,6,10-13,16H,3,5,7-9,14H2,1H3,(H,24,25)
InChIKeyRXAHRBUFKUQECT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.77
Rot. Bonds5

About 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid

3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid (PubChem CID 120536454) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
PubChem CID120536454
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
SMILESCc1cccc(-c2cncc(C(=O)N3CCCC(CCC(=O)O)C3)c2)c1
InChIInChI=1S/C21H24N2O3/c1-15-4-2-6-17(10-15)18-11-19(13-22-12-18)21(26)23-9-3-5-16(14-23)7-8-20(24)25/h2,4,6,10-13,16H,3,5,7-9,14H2,1H3,(H,24,25)
InChIKeyRXAHRBUFKUQECT-UHFFFAOYSA-N
XLogP3.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
(3S)-3-hydroxy-1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 129485829
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 107586080
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
3-[(3S)-1-[3-(pyrazin-2-ylamino)benzoyl]piperidin-3-yl]propanoic acid
CID 124700883
[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119068422
3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
CID 114326388
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
3-[(3R)-1-(3-isoquinolin-4-ylbenzoyl)piperidin-3-yl]propanamide
CID 125157006

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid (CID 120536454) is 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid is Cc1cccc(-c2cncc(C(=O)N3CCCC(CCC(=O)O)C3)c2)c1.
What is the InChIKey of 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is RXAHRBUFKUQECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-4-2-6-17(10-15)18-11-19(13-22-12-18)21(26)23-9-3-5-16(14-23)7-8-20(24)25/h2,4,6,10-13,16H,3,5,7-9,14H2,1H3,(H,24,25).
What are the key properties of 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid?
3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 352.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).