4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide

C15H20IN3O2 — CID 108559708

IUPAC4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H20IN3O2/c1-18(2)15(21)19-9-7-11(8-10-19)17-14(20)12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3,(H,17,20)
InChIKeyMAOHLCRZXOHGJU-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.17
Rot. Bonds2

About 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide

4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 108559708) has the molecular formula C15H20IN3O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID108559708
Molecular FormulaC15H20IN3O2
Molecular Weight401.25 g/mol
Exact Mass401.06
IUPAC Name4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H20IN3O2/c1-18(2)15(21)19-9-7-11(8-10-19)17-14(20)12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3,(H,17,20)
InChIKeyMAOHLCRZXOHGJU-UHFFFAOYSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.17
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,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
[3-[4-[(2-iodobenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927398
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518
4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559685
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999
N-cyclohexyl-2-[(2-iodobenzoyl)carbamothioyl-methylamino]benzamide
CID 4929502

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 108559708) is 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NC(=O)c2ccccc2I)CC1.
What is the InChIKey of 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is MAOHLCRZXOHGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O2/c1-18(2)15(21)19-9-7-11(8-10-19)17-14(20)12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 401.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108559708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).