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

C18H24N2O4 — CID 119252262

IUPAC3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-16(21)20-12-4-3-5-15(20)18(24)19-14-9-6-13(7-10-14)8-11-17(22)23/h6-7,9-10,15H,2-5,8,11-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyPUTJMOYRNDPOEU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.43
Rot. Bonds6

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

3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 119252262) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID119252262
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
SMILESCCC(=O)N1CCCCC1C(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-16(21)20-12-4-3-5-15(20)18(24)19-14-9-6-13(7-10-14)8-11-17(22)23/h6-7,9-10,15H,2-5,8,11-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyPUTJMOYRNDPOEU-UHFFFAOYSA-N
XLogP2.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119254003
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982
N-[4-[2-(dimethylamino)ethyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136523262
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427
2-[[3-[(1-butanoylpiperidine-2-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240743
3-methylsulfonyl-5-[(1-propanoylpiperidine-2-carbonyl)amino]benzoic acid
CID 119257713
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
CID 129380761
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid (CID 119252262) is 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid is CCC(=O)N1CCCCC1C(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is PUTJMOYRNDPOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-16(21)20-12-4-3-5-15(20)18(24)19-14-9-6-13(7-10-14)8-11-17(22)23/h6-7,9-10,15H,2-5,8,11-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 119252262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).