2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid

C19H26N2O4 — CID 119254003

IUPAC2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-4-16(22)21-12-6-5-7-15(21)17(23)20-14-10-8-13(9-11-14)19(2,3)18(24)25/h8-11,15H,4-7,12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyNMKGFMLDGJQZMY-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 119254003) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID119254003
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-4-16(22)21-12-6-5-7-15(21)17(23)20-14-10-8-13(9-11-14)19(2,3)18(24)25/h8-11,15H,4-7,12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyNMKGFMLDGJQZMY-UHFFFAOYSA-N
XLogP2.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
CID 80549547
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
3-methylsulfonyl-5-[(1-propanoylpiperidine-2-carbonyl)amino]benzoic acid
CID 119257713
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid (CID 119254003) is 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid is CCC(=O)N1CCCCC1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is NMKGFMLDGJQZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-16(22)21-12-6-5-7-15(21)17(23)20-14-10-8-13(9-11-14)19(2,3)18(24)25/h8-11,15H,4-7,12H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 119254003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).