(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C24H30FN3O2 — CID 38100852

IUPAC(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C24H30FN3O2/c1-24(2,3)27-23(30)20-8-4-5-9-21(20)26-22(29)18-7-6-14-28(16-18)15-17-10-12-19(25)13-11-17/h4-5,8-13,18H,6-7,14-16H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyRELGROFZNYGTOS-GOSISDBHSA-N
MW411.52 g/mol
LogP4.20
Rot. Bonds5

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

(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 38100852) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID38100852
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C24H30FN3O2/c1-24(2,3)27-23(30)20-8-4-5-9-21(20)26-22(29)18-7-6-14-28(16-18)15-17-10-12-19(25)13-11-17/h4-5,8-13,18H,6-7,14-16H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyRELGROFZNYGTOS-GOSISDBHSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925648
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491924
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931715
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
(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-(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
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 38100852) is (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RELGROFZNYGTOS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-24(2,3)27-23(30)20-8-4-5-9-21(20)26-22(29)18-7-6-14-28(16-18)15-17-10-12-19(25)13-11-17/h4-5,8-13,18H,6-7,14-16H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 38100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).