4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide

C14H20IN3O — CID 83202747

IUPAC4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2cccc(I)c2)CC1
InChIInChI=1S/C14H20IN3O/c1-17(2)14(19)18-8-6-12(7-9-18)16-13-5-3-4-11(15)10-13/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyOGJHYIUQWOVPDG-UHFFFAOYSA-N
MW373.24 g/mol
LogP2.85
Rot. Bonds2

About 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83202747) has the molecular formula C14H20IN3O and a molecular weight of 373.24 g/mol. Its IUPAC name is 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83202747
Molecular FormulaC14H20IN3O
Molecular Weight373.24 g/mol
Exact Mass373.07
IUPAC Name4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(Nc2cccc(I)c2)CC1
InChIInChI=1S/C14H20IN3O/c1-17(2)14(19)18-8-6-12(7-9-18)16-13-5-3-4-11(15)10-13/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyOGJHYIUQWOVPDG-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 52.85
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-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262468
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83242183
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
N,N-dimethyl-4-(3-pyridin-2-yloxyanilino)piperidine-1-carboxamide
CID 86785141
4-(2,6-dibromoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 107597406
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 83202747) is 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(Nc2cccc(I)c2)CC1.
What is the InChIKey of 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is OGJHYIUQWOVPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O/c1-17(2)14(19)18-8-6-12(7-9-18)16-13-5-3-4-11(15)10-13/h3-5,10,12,16H,6-9H2,1-2H3.
What are the key properties of 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83202747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).