1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide

C23H28FN3O2 — CID 43925204

IUPAC1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H28FN3O2/c1-2-13-25-23(29)20-7-3-4-8-21(20)26-22(28)18-6-5-14-27(16-18)15-17-9-11-19(24)12-10-17/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyBSXSUSHBJOQONP-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.82
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43925204) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43925204
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H28FN3O2/c1-2-13-25-23(29)20-7-3-4-8-21(20)26-22(28)18-6-5-14-27(16-18)15-17-9-11-19(24)12-10-17/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyBSXSUSHBJOQONP-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38100852
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491924
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097501
(3R)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097496
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923600
1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923526
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
methyl 3-[[(3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 93492164

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43925204) is 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide is CCCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is BSXSUSHBJOQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-2-13-25-23(29)20-7-3-4-8-21(20)26-22(28)18-6-5-14-27(16-18)15-17-9-11-19(24)12-10-17/h3-4,7-12,18H,2,5-6,13-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43925204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).