1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

C22H25FN2O2 — CID 17223612

IUPAC1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN2O2/c1-15(2)19-8-3-4-9-20(19)24-21(26)16-10-12-25(13-11-16)22(27)17-6-5-7-18(23)14-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)
InChIKeyXYTRCACLXXGPBL-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.44
Rot. Bonds4

About 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 17223612) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID17223612
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN2O2/c1-15(2)19-8-3-4-9-20(19)24-21(26)16-10-12-25(13-11-16)22(27)17-6-5-7-18(23)14-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)
InChIKeyXYTRCACLXXGPBL-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17223719
N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007362
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
1-(3-fluorobenzoyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17223700

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 17223612) is 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is XYTRCACLXXGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(2)19-8-3-4-9-20(19)24-21(26)16-10-12-25(13-11-16)22(27)17-6-5-7-18(23)14-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26).
What are the key properties of 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).