(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide

C21H22F2N2O3 — CID 136583840

IUPAC(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)C[C@@H](C)C1=O
InChIInChI=1S/C21H22F2N2O3/c1-13-10-25(11-14(2)20(13)26)21(27)24-17-6-7-19(18(23)9-17)28-12-15-4-3-5-16(22)8-15/h3-9,13-14H,10-12H2,1-2H3,(H,24,27)/t13-,14-/m1/s1
InChIKeyHQBHMASMGVQCFP-ZIAGYGMSSA-N
MW388.41 g/mol
LogP4.23
Rot. Bonds4

About (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide

(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide (PubChem CID 136583840) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
PubChem CID136583840
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)C[C@@H](C)C1=O
InChIInChI=1S/C21H22F2N2O3/c1-13-10-25(11-14(2)20(13)26)21(27)24-17-6-7-19(18(23)9-17)28-12-15-4-3-5-16(22)8-15/h3-9,13-14H,10-12H2,1-2H3,(H,24,27)/t13-,14-/m1/s1
InChIKeyHQBHMASMGVQCFP-ZIAGYGMSSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975940
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95327018
(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 164634113
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
(2S)-N-carbamoyl-2-[3-fluoro-4-[(3-fluorophenyl)methoxy]anilino]propanamide
CID 95324364
(3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 52504309
N'-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propanediamide
CID 22137941
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(3-methoxypropoxy)azetidine-1-carboxamide
CID 75393732

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
The IUPAC name of (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide (CID 136583840) is (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)C[C@@H](C)C1=O.
What is the InChIKey of (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
The InChIKey is HQBHMASMGVQCFP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-13-10-25(11-14(2)20(13)26)21(27)24-17-6-7-19(18(23)9-17)28-12-15-4-3-5-16(22)8-15/h3-9,13-14H,10-12H2,1-2H3,(H,24,27)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide?
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 136583840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).