3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid

C19H26N2O4 — CID 119252463

IUPAC3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-13(2)19(25)21-11-9-15(10-12-21)18(24)20-16-6-3-14(4-7-16)5-8-17(22)23/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyWVAOYANYQZTOJI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.54
Rot. Bonds6

About 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid

3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid (PubChem CID 119252463) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
PubChem CID119252463
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-13(2)19(25)21-11-9-15(10-12-21)18(24)20-16-6-3-14(4-7-16)5-8-17(22)23/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyWVAOYANYQZTOJI-UHFFFAOYSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
3-[4-[(4,4-difluorocyclohexanecarbonyl)amino]phenyl]propanoic acid
CID 99819377
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035153
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035455
butyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 31776506
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255824
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid (CID 119252463) is 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid is CC(C)C(=O)N1CCC(C(=O)Nc2ccc(CCC(=O)O)cc2)CC1.
What is the InChIKey of 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is WVAOYANYQZTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(2)19(25)21-11-9-15(10-12-21)18(24)20-16-6-3-14(4-7-16)5-8-17(22)23/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid?
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 119252463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).