4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide

C20H30FN3O3 — CID 52520848

IUPAC4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)N[C@H](C)COc2cccc(F)c2)CC1
InChIInChI=1S/C20H30FN3O3/c1-4-23(5-2)19(25)16-9-11-24(12-10-16)20(26)22-15(3)14-27-18-8-6-7-17(21)13-18/h6-8,13,15-16H,4-5,9-12,14H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyNYLDRAGRDSXVSH-OAHLLOKOSA-N
MW379.48 g/mol
LogP2.88
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 52520848) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
PubChem CID52520848
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)N[C@H](C)COc2cccc(F)c2)CC1
InChIInChI=1S/C20H30FN3O3/c1-4-23(5-2)19(25)16-9-11-24(12-10-16)20(26)22-15(3)14-27-18-8-6-7-17(21)13-18/h6-8,13,15-16H,4-5,9-12,14H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyNYLDRAGRDSXVSH-OAHLLOKOSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 75441282
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 100662600
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide (CID 52520848) is 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide is CCN(CC)C(=O)C1CCN(C(=O)N[C@H](C)COc2cccc(F)c2)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is NYLDRAGRDSXVSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-4-23(5-2)19(25)16-9-11-24(12-10-16)20(26)22-15(3)14-27-18-8-6-7-17(21)13-18/h6-8,13,15-16H,4-5,9-12,14H2,1-3H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 52520848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).