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

C14H20ClIN2O — CID 119555518

IUPAC3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O.ClH/c15-13-5-1-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11;/h1,4-5,9,11,16H,2-3,6-8,10H2,(H,17,18);1H
InChIKeyADUIIEIIHUHIIQ-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.83
Rot. Bonds4

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

3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119555518) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119555518
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O.ClH/c15-13-5-1-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11;/h1,4-5,9,11,16H,2-3,6-8,10H2,(H,17,18);1H
InChIKeyADUIIEIIHUHIIQ-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

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559372
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119555518) is 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is ADUIIEIIHUHIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c15-13-5-1-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11;/h1,4-5,9,11,16H,2-3,6-8,10H2,(H,17,18);1H.
What are the key properties of 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3-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 3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119555518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).