N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide

C15H17IN2O2 — CID 166311766

IUPACN-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C15H17IN2O2/c1-2-14(19)18-9-7-11(8-10-18)15(20)17-13-6-4-3-5-12(13)16/h2-6,11H,1,7-10H2,(H,17,20)
InChIKeyIOZATBBTYDEKNM-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.65
Rot. Bonds3

About N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide

N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166311766) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166311766
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C15H17IN2O2/c1-2-14(19)18-9-7-11(8-10-18)15(20)17-13-6-4-3-5-12(13)16/h2-6,11H,1,7-10H2,(H,17,20)
InChIKeyIOZATBBTYDEKNM-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-cyano-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 167941092
N-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166412742
N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide
CID 64767364
N-[4-methyl-2-(trifluoromethyl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 172888872
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
N-[2-(2-phenylethynyl)phenyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166419736
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
CID 166404367
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 166311766) is N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2ccccc2I)CC1.
What is the InChIKey of N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is IOZATBBTYDEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-2-14(19)18-9-7-11(8-10-18)15(20)17-13-6-4-3-5-12(13)16/h2-6,11H,1,7-10H2,(H,17,20).
What are the key properties of N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 384.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166311766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).