3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid

C18H26N2O3 — CID 122019443

IUPAC3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
SMILESCc1ccc(CCC2CCN(C(=O)NCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-14-2-4-15(5-3-14)6-7-16-9-12-20(13-10-16)18(23)19-11-8-17(21)22/h2-5,16H,6-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyGJIJFTOHJGWLFC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.82
Rot. Bonds6

About 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid

3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 122019443) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
PubChem CID122019443
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
SMILESCc1ccc(CCC2CCN(C(=O)NCCC(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-14-2-4-15(5-3-14)6-7-16-9-12-20(13-10-16)18(23)19-11-8-17(21)22/h2-5,16H,6-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyGJIJFTOHJGWLFC-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-methyl-3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]urea
CID 56515328
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
N-[2-(4-methylphenyl)ethyl]-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138053127
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
CID 25492389
2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698293
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid (CID 122019443) is 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid is Cc1ccc(CCC2CCN(C(=O)NCCC(=O)O)CC2)cc1.
What is the InChIKey of 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is GJIJFTOHJGWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-2-4-15(5-3-14)6-7-16-9-12-20(13-10-16)18(23)19-11-8-17(21)22/h2-5,16H,6-13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid?
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 318.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).