N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide

C14H19IN2O — CID 114423070

IUPACN-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CC(C)CCN1
InChIInChI=1S/C14H19IN2O/c1-9-5-6-16-13(7-9)14(18)17-12-4-3-11(15)8-10(12)2/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyWJFQCPJTZHRAEJ-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.93
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide

N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114423070) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
PubChem CID114423070
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CC(C)CCN1
InChIInChI=1S/C14H19IN2O/c1-9-5-6-16-13(7-9)14(18)17-12-4-3-11(15)8-10(12)2/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyWJFQCPJTZHRAEJ-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
CID 114423164
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
4-bromo-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114423645
2-[(4-ethylpiperidine-2-carbonyl)amino]-5-iodobenzoic acid
CID 114428983
2-hydroxy-N-(4-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 110013609
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114423016
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide (CID 114423070) is N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide is Cc1cc(I)ccc1NC(=O)C1CC(C)CCN1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is WJFQCPJTZHRAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-9-5-6-16-13(7-9)14(18)17-12-4-3-11(15)8-10(12)2/h3-4,8-9,13,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide?
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).