N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide

C16H23IN2O — CID 94188113

IUPACN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
SMILESC[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(I)c2)C1
InChIInChI=1S/C16H23IN2O/c1-12-8-13(2)11-19(10-12)7-6-18-16(20)14-4-3-5-15(17)9-14/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyKBXWDANGSICLBI-STQMWFEESA-N
MW386.28 g/mol
LogP3.00
Rot. Bonds4

About N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide (PubChem CID 94188113) has the molecular formula C16H23IN2O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
PubChem CID94188113
Molecular FormulaC16H23IN2O
Molecular Weight386.28 g/mol
Exact Mass386.09
IUPAC NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
SMILESC[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(I)c2)C1
InChIInChI=1S/C16H23IN2O/c1-12-8-13(2)11-19(10-12)7-6-18-16(20)14-4-3-5-15(17)9-14/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyKBXWDANGSICLBI-STQMWFEESA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.00
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

3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-nitrobenzamide
CID 51525726
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
CID 58977021
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55777250
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55969629
3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55782171
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide?
The IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide (CID 94188113) is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide?
The canonical SMILES for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide is C[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(I)c2)C1.
What is the InChIKey of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide?
The InChIKey is KBXWDANGSICLBI-STQMWFEESA-N. The full InChI is InChI=1S/C16H23IN2O/c1-12-8-13(2)11-19(10-12)7-6-18-16(20)14-4-3-5-15(17)9-14/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide?
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide has a molecular weight of 386.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide is sourced from PubChem (CID 94188113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).