N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C23H24FN3O3 — CID 56572052

IUPACN-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESN#CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C23H24FN3O3/c24-20-9-5-4-8-19(20)21(16-25)26-23(29)17-10-13-27(14-11-17)22(28)12-15-30-18-6-2-1-3-7-18/h1-9,17,21H,10-15H2,(H,26,29)
InChIKeyFAFOKTYOIOTNTC-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.21
Rot. Bonds7

About N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 56572052) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID56572052
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESN#CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C23H24FN3O3/c24-20-9-5-4-8-19(20)21(16-25)26-23(29)17-10-13-27(14-11-17)22(28)12-15-30-18-6-2-1-3-7-18/h1-9,17,21H,10-15H2,(H,26,29)
InChIKeyFAFOKTYOIOTNTC-UHFFFAOYSA-N
XLogP3.21
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-(2-amino-1-cyclopropylethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide;hydrochloride
CID 119617668
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55875019
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885634
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
N-[cyano-(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 56516677

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 56572052) is N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is N#CC(NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is FAFOKTYOIOTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-20-9-5-4-8-19(20)21(16-25)26-23(29)17-10-13-27(14-11-17)22(28)12-15-30-18-6-2-1-3-7-18/h1-9,17,21H,10-15H2,(H,26,29).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56572052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).