N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C14H21ClIN3O — CID 119919334

IUPACN-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)Nc2cccc(I)c2)C1.Cl
InChIInChI=1S/C14H20IN3O.ClH/c1-16-13-6-3-7-18(9-13)10-14(19)17-12-5-2-4-11(15)8-12;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19);1H
InChIKeyXIYGYYREKHUJOW-UHFFFAOYSA-N
MW409.70 g/mol
LogP2.34
Rot. Bonds4

About N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119919334) has the molecular formula C14H21ClIN3O and a molecular weight of 409.70 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119919334
Molecular FormulaC14H21ClIN3O
Molecular Weight409.70 g/mol
Exact Mass409.04
IUPAC NameN-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)Nc2cccc(I)c2)C1.Cl
InChIInChI=1S/C14H20IN3O.ClH/c1-16-13-6-3-7-18(9-13)10-14(19)17-12-5-2-4-11(15)8-12;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19);1H
InChIKeyXIYGYYREKHUJOW-UHFFFAOYSA-N
XLogP2.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119919334) is N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)Nc2cccc(I)c2)C1.Cl.
What is the InChIKey of N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is XIYGYYREKHUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O.ClH/c1-16-13-6-3-7-18(9-13)10-14(19)17-12-5-2-4-11(15)8-12;/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 409.70 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119919334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).