(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

C25H24FN3O2 — CID 42522383

IUPAC(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C25H24FN3O2/c26-21-7-3-5-19(15-21)18-9-11-22(12-10-18)28-25(31)20-6-4-14-29(17-20)24(30)16-23-8-1-2-13-27-23/h1-3,5,7-13,15,20H,4,6,14,16-17H2,(H,28,31)/t20-/m1/s1
InChIKeyLDWYOLLLGSCXCY-HXUWFJFHSA-N
MW417.48 g/mol
LogP4.31
Rot. Bonds5

About (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide

(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 42522383) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
PubChem CID42522383
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C25H24FN3O2/c26-21-7-3-5-19(15-21)18-9-11-22(12-10-18)28-25(31)20-6-4-14-29(17-20)24(30)16-23-8-1-2-13-27-23/h1-3,5,7-13,15,20H,4,6,14,16-17H2,(H,28,31)/t20-/m1/s1
InChIKeyLDWYOLLLGSCXCY-HXUWFJFHSA-N
XLogP4.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 45212597
(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 26334195
1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 72856076
N-[4-(3-fluorophenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 72838343
N-[4-(3-fluorophenyl)phenyl]-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 56700889
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide (CID 42522383) is (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is LDWYOLLLGSCXCY-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-21-7-3-5-19(15-21)18-9-11-22(12-10-18)28-25(31)20-6-4-14-29(17-20)24(30)16-23-8-1-2-13-27-23/h1-3,5,7-13,15,20H,4,6,14,16-17H2,(H,28,31)/t20-/m1/s1.
What are the key properties of (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide?
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 42522383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).