N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide

C23H27FN2O3 — CID 121382012

IUPACN-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)C2CCCN(C(=O)c3c(O)cccc3F)C2)c1
InChIInChI=1S/C23H27FN2O3/c1-23(2,3)16-8-4-9-17(13-16)25-21(28)15-7-6-12-26(14-15)22(29)20-18(24)10-5-11-19(20)27/h4-5,8-11,13,15,27H,6-7,12,14H2,1-3H3,(H,25,28)
InChIKeyPWTYCDPZHVTNPF-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.32
Rot. Bonds3

About N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide

N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide (PubChem CID 121382012) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
PubChem CID121382012
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC NameN-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)C2CCCN(C(=O)c3c(O)cccc3F)C2)c1
InChIInChI=1S/C23H27FN2O3/c1-23(2,3)16-8-4-9-17(13-16)25-21(28)15-7-6-12-26(14-15)22(29)20-18(24)10-5-11-19(20)27/h4-5,8-11,13,15,27H,6-7,12,14H2,1-3H3,(H,25,28)
InChIKeyPWTYCDPZHVTNPF-UHFFFAOYSA-N
XLogP4.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
(3S)-1-(2-fluoro-6-methylbenzoyl)-N-(3-piperidin-1-ylphenyl)piperidine-3-carboxamide
CID 129074399
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
CID 126604020
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 155753916
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
1-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090866

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide (CID 121382012) is N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide is CC(C)(C)c1cccc(NC(=O)C2CCCN(C(=O)c3c(O)cccc3F)C2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide?
The InChIKey is PWTYCDPZHVTNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-23(2,3)16-8-4-9-17(13-16)25-21(28)15-7-6-12-26(14-15)22(29)20-18(24)10-5-11-19(20)27/h4-5,8-11,13,15,27H,6-7,12,14H2,1-3H3,(H,25,28).
What are the key properties of N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide?
N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 121382012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).