1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide

C13H14FIN2O2 — CID 103617048

IUPAC1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C13H14FIN2O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7H2,(H2,16,18)
InChIKeyYIZVQKIEELIQCB-UHFFFAOYSA-N
MW376.17 g/mol
LogP1.77
Rot. Bonds2

About 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide

1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide (PubChem CID 103617048) has the molecular formula C13H14FIN2O2 and a molecular weight of 376.17 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
PubChem CID103617048
Molecular FormulaC13H14FIN2O2
Molecular Weight376.17 g/mol
Exact Mass376.01
IUPAC Name1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C13H14FIN2O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7H2,(H2,16,18)
InChIKeyYIZVQKIEELIQCB-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 51.77
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-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
3-[(3S)-1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 95700358
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470
ethyl (3R)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 81338657
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide (CID 103617048) is 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(F)cc2I)C1.
What is the InChIKey of 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide?
The InChIKey is YIZVQKIEELIQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FIN2O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7H2,(H2,16,18).
What are the key properties of 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide?
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide has a molecular weight of 376.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 103617048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).