N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid

C50H64F2N4O8 — CID 173419203

IUPACN-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid
SMILESCOC(C)C(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1C.COC(C)C(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)C[C@H]1C.O=C(O)C(=O)O
InChIInChI=1S/2C24H31FN2O2.C2H2O4/c2*1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25;3-1(4)2(5)6/h2*4-12,18-19,22H,13-17H2,1-3H3;(H,3,4)(H,5,6)/t18-,19?,22?;;/m1../s1
InChIKeyJWEIUXSIQUDFRT-URRYFBQKSA-N
MW887.08 g/mol
LogP7.45
Rot. Bonds14

About N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid

N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid (PubChem CID 173419203) has the molecular formula C50H64F2N4O8 and a molecular weight of 887.08 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid
PubChem CID173419203
Molecular FormulaC50H64F2N4O8
Molecular Weight887.08 g/mol
Exact Mass886.47
IUPAC NameN-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid
SMILESCOC(C)C(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1C.COC(C)C(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)C[C@H]1C.O=C(O)C(=O)O
InChIInChI=1S/2C24H31FN2O2.C2H2O4/c2*1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25;3-1(4)2(5)6/h2*4-12,18-19,22H,13-17H2,1-3H3;(H,3,4)(H,5,6)/t18-,19?,22?;;/m1../s1
InChIKeyJWEIUXSIQUDFRT-URRYFBQKSA-N
XLogP7.45
TPSA140.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.08
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(3S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 18602333
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 67904302
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 67904546
N-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 54355045
N-(2-fluorophenyl)-N-[(3R,4S)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 67896242
N-(3-acetamidophenyl)-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;oxalic acid
CID 11620778
benzyl 4-(2-fluoro-N-propanoylanilino)-3-methylpiperidine-1-carboxylate
CID 19832136
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
CID 70373665

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid?
The IUPAC name of N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid (CID 173419203) is N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid.
What is the SMILES notation for N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid?
The canonical SMILES for N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid is COC(C)C(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1C.COC(C)C(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)C[C@H]1C.O=C(O)C(=O)O.
What is the InChIKey of N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid?
The InChIKey is JWEIUXSIQUDFRT-URRYFBQKSA-N. The full InChI is InChI=1S/2C24H31FN2O2.C2H2O4/c2*1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25;3-1(4)2(5)6/h2*4-12,18-19,22H,13-17H2,1-3H3;(H,3,4)(H,5,6)/t18-,19?,22?;;/m1../s1.
What are the key properties of N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid?
N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid has a molecular weight of 887.08 g/mol, XLogP of 7.45, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid is sourced from PubChem (CID 173419203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).