N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide

C13H16ClIN2O — CID 103767711

IUPACN-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)cc2I)CC1
InChIInChI=1S/C13H16ClIN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyIXUNBCGPOAIVBL-UHFFFAOYSA-N
MW378.64 g/mol
LogP4.21
Rot. Bonds1

About N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide

N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 103767711) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID103767711
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC NameN-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)cc2I)CC1
InChIInChI=1S/C13H16ClIN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyIXUNBCGPOAIVBL-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959269
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide (CID 103767711) is N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)cc2I)CC1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is IXUNBCGPOAIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 378.64 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103767711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).