4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C15H22ClIN2O — CID 119822992

IUPAC4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(I)cc1)C1CCNCC1.Cl
InChIInChI=1S/C15H21IN2O.ClH/c1-2-11-18(14-7-9-17-10-8-14)15(19)12-3-5-13(16)6-4-12;/h3-6,14,17H,2,7-11H2,1H3;1H
InChIKeySGFZPBAYATXJJE-UHFFFAOYSA-N
MW408.71 g/mol
LogP3.32
Rot. Bonds4

About 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119822992) has the molecular formula C15H22ClIN2O and a molecular weight of 408.71 g/mol. Its IUPAC name is 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119822992
Molecular FormulaC15H22ClIN2O
Molecular Weight408.71 g/mol
Exact Mass408.05
IUPAC Name4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(I)cc1)C1CCNCC1.Cl
InChIInChI=1S/C15H21IN2O.ClH/c1-2-11-18(14-7-9-17-10-8-14)15(19)12-3-5-13(16)6-4-12;/h3-6,14,17H,2,7-11H2,1H3;1H
InChIKeySGFZPBAYATXJJE-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.71
LogP ≤ 53.32
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

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119822992) is 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(I)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is SGFZPBAYATXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O.ClH/c1-2-11-18(14-7-9-17-10-8-14)15(19)12-3-5-13(16)6-4-12;/h3-6,14,17H,2,7-11H2,1H3;1H.
What are the key properties of 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 408.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119822992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).