4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C14H20ClIN2O — CID 119554925

IUPAC4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccc(I)cc1
InChIInChI=1S/C14H19IN2O.ClH/c15-13-5-3-12(4-6-13)14(18)17-9-7-11-2-1-8-16-10-11;/h3-6,11,16H,1-2,7-10H2,(H,17,18);1H
InChIKeyKTOGCTLMYZUQKK-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.83
Rot. Bonds4

About 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119554925) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119554925
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccc(I)cc1
InChIInChI=1S/C14H19IN2O.ClH/c15-13-5-3-12(4-6-13)14(18)17-9-7-11-2-1-8-16-10-11;/h3-6,11,16H,1-2,7-10H2,(H,17,18);1H
InChIKeyKTOGCTLMYZUQKK-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 52.83
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-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119554925) is 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is KTOGCTLMYZUQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c15-13-5-3-12(4-6-13)14(18)17-9-7-11-2-1-8-16-10-11;/h3-6,11,16H,1-2,7-10H2,(H,17,18);1H.
What are the key properties of 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 394.68 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119554925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).