(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide

C22H25FN2O2 — CID 26393022

IUPAC(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C22H25FN2O2/c1-2-12-24-22(27)25-13-6-9-18(15-25)21(26)17-10-11-19(20(23)14-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyYXTFXEFFKUGSDD-GOSISDBHSA-N
MW368.45 g/mol
LogP4.51
Rot. Bonds5

About (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide

(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide (PubChem CID 26393022) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
PubChem CID26393022
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C22H25FN2O2/c1-2-12-24-22(27)25-13-6-9-18(15-25)21(26)17-10-11-19(20(23)14-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyYXTFXEFFKUGSDD-GOSISDBHSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
CID 45241693
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 45206143
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
3-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-N-methylpropanamide
CID 95525253
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
(3-fluoro-4-phenylphenyl)-[(3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone
CID 42241584
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
CID 45252549
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 42403988

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide (CID 26393022) is (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is YXTFXEFFKUGSDD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-2-12-24-22(27)25-13-6-9-18(15-25)21(26)17-10-11-19(20(23)14-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide?
(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 26393022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).