(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H23F2N3O2 — CID 100852698

IUPAC(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H23F2N3O2/c1-13-4-2-8-23-19(13)24-20(27)15-5-3-9-25(11-15)12-18(26)14-6-7-16(21)17(22)10-14/h2,4,6-8,10,15,18,26H,3,5,9,11-12H2,1H3,(H,23,24,27)/t15-,18-/m1/s1
InChIKeyBEIQDRWUQSYACO-CRAIPNDOSA-N
MW375.42 g/mol
LogP3.05
Rot. Bonds5

About (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 100852698) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID100852698
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H23F2N3O2/c1-13-4-2-8-23-19(13)24-20(27)15-5-3-9-25(11-15)12-18(26)14-6-7-16(21)17(22)10-14/h2,4,6-8,10,15,18,26H,3,5,9,11-12H2,1H3,(H,23,24,27)/t15-,18-/m1/s1
InChIKeyBEIQDRWUQSYACO-CRAIPNDOSA-N
XLogP3.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 71889221
1-[2-(2,5-dichlorophenyl)sulfanylpropanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896307
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896431
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 100852698) is (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BEIQDRWUQSYACO-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-13-4-2-8-23-19(13)24-20(27)15-5-3-9-25(11-15)12-18(26)14-6-7-16(21)17(22)10-14/h2,4,6-8,10,15,18,26H,3,5,9,11-12H2,1H3,(H,23,24,27)/t15-,18-/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 100852698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).