N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C14H19IN2O — CID 2697962

IUPACN-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H19IN2O/c1-11-4-2-3-9-17(11)10-14(18)16-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyAUTLHJYUPJKCQI-NSHDSACASA-N
MW358.22 g/mol
LogP3.10
Rot. Bonds3

About N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 2697962) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID2697962
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H19IN2O/c1-11-4-2-3-9-17(11)10-14(18)16-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyAUTLHJYUPJKCQI-NSHDSACASA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.10
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-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 2697962) is N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is C[C@H]1CCCCN1CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is AUTLHJYUPJKCQI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19IN2O/c1-11-4-2-3-9-17(11)10-14(18)16-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 358.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2697962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).