3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid

C15H19IN2O3 — CID 62217205

IUPAC3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H19IN2O3/c16-11-4-6-12(7-5-11)17-15(21)18-10-2-1-3-13(18)8-9-14(19)20/h4-7,13H,1-3,8-10H2,(H,17,21)(H,19,20)
InChIKeyPJPDFVBYGDZUQP-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.54
Rot. Bonds4

About 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62217205) has the molecular formula C15H19IN2O3 and a molecular weight of 402.23 g/mol. Its IUPAC name is 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62217205
Molecular FormulaC15H19IN2O3
Molecular Weight402.23 g/mol
Exact Mass402.04
IUPAC Name3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H19IN2O3/c16-11-4-6-12(7-5-11)17-15(21)18-10-2-1-3-13(18)8-9-14(19)20/h4-7,13H,1-3,8-10H2,(H,17,21)(H,19,20)
InChIKeyPJPDFVBYGDZUQP-UHFFFAOYSA-N
XLogP3.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62216964
1-[(4-iodophenyl)carbamoyl]azepane-2-carboxylic acid
CID 64561737
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
CID 120536874
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid (CID 62217205) is 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is PJPDFVBYGDZUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O3/c16-11-4-6-12(7-5-11)17-15(21)18-10-2-1-3-13(18)8-9-14(19)20/h4-7,13H,1-3,8-10H2,(H,17,21)(H,19,20).
What are the key properties of 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 402.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).