3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide

C14H19IN2O2 — CID 104627715

IUPAC3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(I)c(O)c1
InChIInChI=1S/C14H19IN2O2/c15-12-5-4-11(10-13(12)18)14(19)16-6-9-17-7-2-1-3-8-17/h4-5,10,18H,1-3,6-9H2,(H,16,19)
InChIKeyUIRUJDAVPXIPRV-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.21
Rot. Bonds4

About 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide

3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 104627715) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID104627715
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(I)c(O)c1
InChIInChI=1S/C14H19IN2O2/c15-12-5-4-11(10-13(12)18)14(19)16-6-9-17-7-2-1-3-8-17/h4-5,10,18H,1-3,6-9H2,(H,16,19)
InChIKeyUIRUJDAVPXIPRV-UHFFFAOYSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide (CID 104627715) is 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is UIRUJDAVPXIPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c15-12-5-4-11(10-13(12)18)14(19)16-6-9-17-7-2-1-3-8-17/h4-5,10,18H,1-3,6-9H2,(H,16,19).
What are the key properties of 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide?
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 374.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 104627715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).