(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide

C27H35FN2O3 — CID 129454956

IUPAC(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCN3CCCC[C@H]3C)CCCO2)cc1
InChIInChI=1S/C27H35FN2O3/c1-20-6-3-4-15-30(20)16-14-29-26(31)27(13-5-17-33-27)19-21-7-9-22(10-8-21)24-18-23(28)11-12-25(24)32-2/h7-12,18,20H,3-6,13-17,19H2,1-2H3,(H,29,31)/t20-,27-/m1/s1
InChIKeyGQFDKSINCHNWFK-NFQMXDRXSA-N
MW454.59 g/mol
LogP4.58
Rot. Bonds8

About (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 129454956) has the molecular formula C27H35FN2O3 and a molecular weight of 454.59 g/mol. Its IUPAC name is (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
PubChem CID129454956
Molecular FormulaC27H35FN2O3
Molecular Weight454.59 g/mol
Exact Mass454.26
IUPAC Name(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCN3CCCC[C@H]3C)CCCO2)cc1
InChIInChI=1S/C27H35FN2O3/c1-20-6-3-4-15-30(20)16-14-29-26(31)27(13-5-17-33-27)19-21-7-9-22(10-8-21)24-18-23(28)11-12-25(24)32-2/h7-12,18,20H,3-6,13-17,19H2,1-2H3,(H,29,31)/t20-,27-/m1/s1
InChIKeyGQFDKSINCHNWFK-NFQMXDRXSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 129457272
(2S)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-2-carboxamide
CID 129455270
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide
CID 132779173
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxylic acid
CID 110248554
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 129455798
tert-butyl 4-[[(2S)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxolane-2-carbonyl]amino]piperidine-1-carboxylate
CID 124986963
(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95806174
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylsulfonylethyl)oxane-4-carboxamide
CID 110075926
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129457212
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide (CID 129454956) is (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide is COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCN3CCCC[C@H]3C)CCCO2)cc1.
What is the InChIKey of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is GQFDKSINCHNWFK-NFQMXDRXSA-N. The full InChI is InChI=1S/C27H35FN2O3/c1-20-6-3-4-15-30(20)16-14-29-26(31)27(13-5-17-33-27)19-21-7-9-22(10-8-21)24-18-23(28)11-12-25(24)32-2/h7-12,18,20H,3-6,13-17,19H2,1-2H3,(H,29,31)/t20-,27-/m1/s1.
What are the key properties of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide?
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 129454956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).