4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C25H25IN2O2 — CID 118063317

IUPAC4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(I)cc4)cc3)cc2)CC1
InChIInChI=1S/C25H25IN2O2/c1-28-16-14-24(15-17-28)30-23-12-6-19(7-13-23)18-4-10-22(11-5-18)27-25(29)20-2-8-21(26)9-3-20/h2-13,24H,14-17H2,1H3,(H,27,29)
InChIKeyZYKMNIOZEDDDEJ-UHFFFAOYSA-N
MW512.39 g/mol
LogP5.68
Rot. Bonds5

About 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063317) has the molecular formula C25H25IN2O2 and a molecular weight of 512.39 g/mol. Its IUPAC name is 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063317
Molecular FormulaC25H25IN2O2
Molecular Weight512.39 g/mol
Exact Mass512.10
IUPAC Name4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(I)cc4)cc3)cc2)CC1
InChIInChI=1S/C25H25IN2O2/c1-28-16-14-24(15-17-28)30-23-12-6-19(7-13-23)18-4-10-22(11-5-18)27-25(29)20-2-8-21(26)9-3-20/h2-13,24H,14-17H2,1H3,(H,27,29)
InChIKeyZYKMNIOZEDDDEJ-UHFFFAOYSA-N
XLogP5.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Encainide
CID 48041
Encainide Hydrochloride
CID 48040
(2r)-2-Benzyl-3-[3-({[4-(Piperidin-1-Yl)benzoyl]amino}methyl)-4-Propoxyphenyl]propanoic Acid
CID 56929502
N-(4-amino-4''-methoxybiphenyl-3-yl)benzamide
CID 46887379
N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 127046525
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 127046526
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]benzamide
CID 70688018
(2R)-2-benzyl-3-[4-propoxy-3-[[[4-(3,3,5,5-tetramethylpiperidin-1-yl)benzoyl]amino]methyl]phenyl]propanoic acid
CID 118708440
4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]benzamide
CID 168273062
4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 952362
4-(4-methoxyphenyl)-N-(4-methylphenyl)tetrahydro-2H-pyran-4-carboxamide
CID 972348

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063317) is 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(I)cc4)cc3)cc2)CC1.
What is the InChIKey of 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is ZYKMNIOZEDDDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25IN2O2/c1-28-16-14-24(15-17-28)30-23-12-6-19(7-13-23)18-4-10-22(11-5-18)27-25(29)20-2-8-21(26)9-3-20/h2-13,24H,14-17H2,1H3,(H,27,29).
What are the key properties of 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 512.39 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).