3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide

C15H20FIN2O — CID 119825905

IUPAC3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(I)c(F)c1)C1CCNCC1
InChIInChI=1S/C15H20FIN2O/c1-2-9-19(12-5-7-18-8-6-12)15(20)11-3-4-14(17)13(16)10-11/h3-4,10,12,18H,2,5-9H2,1H3
InChIKeyQSFLWVGRLDIWBU-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.03
Rot. Bonds4

About 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide

3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119825905) has the molecular formula C15H20FIN2O and a molecular weight of 390.24 g/mol. Its IUPAC name is 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119825905
Molecular FormulaC15H20FIN2O
Molecular Weight390.24 g/mol
Exact Mass390.06
IUPAC Name3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(I)c(F)c1)C1CCNCC1
InChIInChI=1S/C15H20FIN2O/c1-2-9-19(12-5-7-18-8-6-12)15(20)11-3-4-14(17)13(16)10-11/h3-4,10,12,18H,2,5-9H2,1H3
InChIKeyQSFLWVGRLDIWBU-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.03
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-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
4-(3,4-difluorophenyl)-4-oxo-N-piperidin-4-yl-N-propylbutanamide
CID 119824265
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide (CID 119825905) is 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(I)c(F)c1)C1CCNCC1.
What is the InChIKey of 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is QSFLWVGRLDIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FIN2O/c1-2-9-19(12-5-7-18-8-6-12)15(20)11-3-4-14(17)13(16)10-11/h3-4,10,12,18H,2,5-9H2,1H3.
What are the key properties of 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide?
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 390.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119825905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).