2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C22H27IN2O — CID 46483205

IUPAC2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)c1I
InChIInChI=1S/C22H27IN2O/c1-16-5-4-12-25(14-16)15-19-10-8-18(9-11-19)13-24-22(26)20-7-3-6-17(2)21(20)23/h3,6-11,16H,4-5,12-15H2,1-2H3,(H,24,26)
InChIKeyFHYWFFCECMWTCX-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.76
Rot. Bonds5

About 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46483205) has the molecular formula C22H27IN2O and a molecular weight of 462.38 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46483205
Molecular FormulaC22H27IN2O
Molecular Weight462.38 g/mol
Exact Mass462.12
IUPAC Name2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)c1I
InChIInChI=1S/C22H27IN2O/c1-16-5-4-12-25(14-16)15-19-10-8-18(9-11-19)13-24-22(26)20-7-3-6-17(2)21(20)23/h3,6-11,16H,4-5,12-15H2,1-2H3,(H,24,26)
InChIKeyFHYWFFCECMWTCX-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.76
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-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46474002
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917331
3-(methanesulfonamido)-4-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 51948213
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
1-[(3-chlorophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917655
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46483205) is 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is Cc1cccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is FHYWFFCECMWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27IN2O/c1-16-5-4-12-25(14-16)15-19-10-8-18(9-11-19)13-24-22(26)20-7-3-6-17(2)21(20)23/h3,6-11,16H,4-5,12-15H2,1-2H3,(H,24,26).
What are the key properties of 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 462.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).