N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide

C15H20ClIN2O — CID 107625392

IUPACN-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(Cl)cc2I)CCCNC1
InChIInChI=1S/C15H20ClIN2O/c1-2-6-15(7-3-8-18-10-15)14(20)19-13-5-4-11(16)9-12(13)17/h4-5,9,18H,2-3,6-8,10H2,1H3,(H,19,20)
InChIKeyCNZNIECODXCSFA-UHFFFAOYSA-N
MW406.70 g/mol
LogP4.05
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide

N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide (PubChem CID 107625392) has the molecular formula C15H20ClIN2O and a molecular weight of 406.70 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
PubChem CID107625392
Molecular FormulaC15H20ClIN2O
Molecular Weight406.70 g/mol
Exact Mass406.03
IUPAC NameN-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(Cl)cc2I)CCCNC1
InChIInChI=1S/C15H20ClIN2O/c1-2-6-15(7-3-8-18-10-15)14(20)19-13-5-4-11(16)9-12(13)17/h4-5,9,18H,2-3,6-8,10H2,1H3,(H,19,20)
InChIKeyCNZNIECODXCSFA-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 54.05
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-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
CID 103094157

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide (CID 107625392) is N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(Cl)cc2I)CCCNC1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is CNZNIECODXCSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIN2O/c1-2-6-15(7-3-8-18-10-15)14(20)19-13-5-4-11(16)9-12(13)17/h4-5,9,18H,2-3,6-8,10H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide?
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 406.70 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 107625392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).