3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

C18H24N2O4 — CID 119177469

IUPAC3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H24N2O4/c21-16(7-6-14-4-2-1-3-5-14)20-12-9-15(10-13-20)18(24)19-11-8-17(22)23/h1-5,15H,6-13H2,(H,19,24)(H,22,23)
InChIKeyIXWILAHIZVONNL-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.45
Rot. Bonds7

About 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid

3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 119177469) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID119177469
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H24N2O4/c21-16(7-6-14-4-2-1-3-5-14)20-12-9-15(10-13-20)18(24)19-11-8-17(22)23/h1-5,15H,6-13H2,(H,19,24)(H,22,23)
InChIKeyIXWILAHIZVONNL-UHFFFAOYSA-N
XLogP1.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119444991
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633459
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-[[2-(phenoxymethyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410497

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 119177469) is 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is IXWILAHIZVONNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(7-6-14-4-2-1-3-5-14)20-12-9-15(10-13-20)18(24)19-11-8-17(22)23/h1-5,15H,6-13H2,(H,19,24)(H,22,23).
What are the key properties of 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid?
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).