2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid

C14H16INO3 — CID 78980430

IUPAC2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H16INO3/c15-12-3-1-11(2-4-12)14(19)16-7-5-10(6-8-16)9-13(17)18/h1-4,10H,5-9H2,(H,17,18)
InChIKeySEGYHPDWHUUBGX-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid

2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid (PubChem CID 78980430) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
PubChem CID78980430
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H16INO3/c15-12-3-1-11(2-4-12)14(19)16-7-5-10(6-8-16)9-13(17)18/h1-4,10H,5-9H2,(H,17,18)
InChIKeySEGYHPDWHUUBGX-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245
2-[1-(4-prop-2-ynoxybenzoyl)piperidin-4-yl]acetic acid
CID 119178054
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid (CID 78980430) is 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is SEGYHPDWHUUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c15-12-3-1-11(2-4-12)14(19)16-7-5-10(6-8-16)9-13(17)18/h1-4,10H,5-9H2,(H,17,18).
What are the key properties of 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid?
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 373.19 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 78980430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).