(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C27H30FN3O2 — CID 92609565

IUPAC(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1
InChIInChI=1S/C27H30FN3O2/c1-29-26(32)27(16-20-7-3-4-9-24(20)21-8-5-13-30-17-21)12-6-14-31(19-27)18-22-10-11-23(33-2)15-25(22)28/h3-5,7-11,13,15,17H,6,12,14,16,18-19H2,1-2H3,(H,29,32)/t27-/m1/s1
InChIKeyBLNLJHKVBBGNEM-HHHXNRCGSA-N
MW447.55 g/mol
LogP4.47
Rot. Bonds7

About (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609565) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92609565
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC Name(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1
InChIInChI=1S/C27H30FN3O2/c1-29-26(32)27(16-20-7-3-4-9-24(20)21-8-5-13-30-17-21)12-6-14-31(19-27)18-22-10-11-23(33-2)15-25(22)28/h3-5,7-11,13,15,17H,6,12,14,16,18-19H2,1-2H3,(H,29,32)/t27-/m1/s1
InChIKeyBLNLJHKVBBGNEM-HHHXNRCGSA-N
XLogP4.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609565) is (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1.
What is the InChIKey of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BLNLJHKVBBGNEM-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-29-26(32)27(16-20-7-3-4-9-24(20)21-8-5-13-30-17-21)12-6-14-31(19-27)18-22-10-11-23(33-2)15-25(22)28/h3-5,7-11,13,15,17H,6,12,14,16,18-19H2,1-2H3,(H,29,32)/t27-/m1/s1.
What are the key properties of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 447.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).