4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide

C19H18IN3O — CID 3717988

IUPAC4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C19H18IN3O/c20-16-7-4-8-17(13-16)22-18(24)23-11-9-19(14-21,10-12-23)15-5-2-1-3-6-15/h1-8,13H,9-12H2,(H,22,24)
InChIKeyFJICVELAUAIRRE-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.38
Rot. Bonds2

About 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide

4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide (PubChem CID 3717988) has the molecular formula C19H18IN3O and a molecular weight of 431.28 g/mol. Its IUPAC name is 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
PubChem CID3717988
Molecular FormulaC19H18IN3O
Molecular Weight431.28 g/mol
Exact Mass431.05
IUPAC Name4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C19H18IN3O/c20-16-7-4-8-17(13-16)22-18(24)23-11-9-19(14-21,10-12-23)15-5-2-1-3-6-15/h1-8,13H,9-12H2,(H,22,24)
InChIKeyFJICVELAUAIRRE-UHFFFAOYSA-N
XLogP4.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.38
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

4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
N-(4-bromo-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide
CID 3822406
4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
CID 70797802
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
1-[(3-iodophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55151371
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide
CID 125442068
butyl 2-[(4-cyano-4-phenylpiperidine-1-carbonyl)amino]benzoate
CID 4987941

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide (CID 3717988) is 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)Nc2cccc(I)c2)CC1.
What is the InChIKey of 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is FJICVELAUAIRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O/c20-16-7-4-8-17(13-16)22-18(24)23-11-9-19(14-21,10-12-23)15-5-2-1-3-6-15/h1-8,13H,9-12H2,(H,22,24).
What are the key properties of 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide?
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3717988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).