N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide

C15H19IN2O2 — CID 47255391

IUPACN-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C15H19IN2O2/c1-2-14(19)18-8-4-5-11(10-18)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20)
InChIKeyLNLVTADLHGXRGX-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.88
Rot. Bonds3

About N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide

N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 47255391) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
PubChem CID47255391
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC NameN-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cccc(I)c2)C1
InChIInChI=1S/C15H19IN2O2/c1-2-14(19)18-8-4-5-11(10-18)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20)
InChIKeyLNLVTADLHGXRGX-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.88
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

N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 56792579
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55882997
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
N-(3-iodophenyl)-1-prop-2-enoylazetidine-3-carboxamide
CID 177358826
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide (CID 47255391) is N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2cccc(I)c2)C1.
What is the InChIKey of N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is LNLVTADLHGXRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2/c1-2-14(19)18-8-4-5-11(10-18)15(20)17-13-7-3-6-12(16)9-13/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,17,20).
What are the key properties of N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide?
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 386.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 47255391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).