(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide

C21H30FN3O2 — CID 26333421

IUPAC(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H30FN3O2/c1-23-11-9-19(10-12-23)24(2)21(27)17-6-7-20(26)25(15-17)13-8-16-4-3-5-18(22)14-16/h3-5,14,17,19H,6-13,15H2,1-2H3/t17-/m1/s1
InChIKeyKRDRVCJGEWUFMH-QGZVFWFLSA-N
MW375.49 g/mol
LogP2.16
Rot. Bonds5

About (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide

(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 26333421) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID26333421
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H30FN3O2/c1-23-11-9-19(10-12-23)24(2)21(27)17-6-7-20(26)25(15-17)13-8-16-4-3-5-18(22)14-16/h3-5,14,17,19H,6-13,15H2,1-2H3/t17-/m1/s1
InChIKeyKRDRVCJGEWUFMH-QGZVFWFLSA-N
XLogP2.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 42244805
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24816656
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42197532
methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
CID 42343426
1-[2-(3-fluorophenyl)ethyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 24790741
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(hydroxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 51903737
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24819358
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 25311516
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
4-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 26331597

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide (CID 26333421) is (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide is CN1CCC(N(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KRDRVCJGEWUFMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-23-11-9-19(10-12-23)24(2)21(27)17-6-7-20(26)25(15-17)13-8-16-4-3-5-18(22)14-16/h3-5,14,17,19H,6-13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide?
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26333421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).