methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate

C21H27FN2O4 — CID 42343426

IUPACmethyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H27FN2O4/c1-28-21(27)16-8-11-23(12-9-16)20(26)17-5-6-19(25)24(14-17)10-7-15-3-2-4-18(22)13-15/h2-4,13,16-17H,5-12,14H2,1H3/t17-/m1/s1
InChIKeyLRIQVEXDSFSXAH-QGZVFWFLSA-N
MW390.46 g/mol
LogP2.02
Rot. Bonds5

About methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate

methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 42343426) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID42343426
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Namemethyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H27FN2O4/c1-28-21(27)16-8-11-23(12-9-16)20(26)17-5-6-19(25)24(14-17)10-7-15-3-2-4-18(22)13-15/h2-4,13,16-17H,5-12,14H2,1H3/t17-/m1/s1
InChIKeyLRIQVEXDSFSXAH-QGZVFWFLSA-N
XLogP2.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24819358
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(hydroxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 51903737
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
1-[2-(3-fluorophenyl)ethyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 24790741
methyl 1-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 6461917
4-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 26331597
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 26333421
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
1-[2-(3-fluorophenyl)ethyl]-5-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 45250759
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
(3S)-N-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25485620

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate (CID 42343426) is methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is LRIQVEXDSFSXAH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-28-21(27)16-8-11-23(12-9-16)20(26)17-5-6-19(25)24(14-17)10-7-15-3-2-4-18(22)13-15/h2-4,13,16-17H,5-12,14H2,1H3/t17-/m1/s1.
What are the key properties of methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42343426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).