1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide

C27H31FN4O3 — CID 43931878

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CCCN(Cc3nc(-c4ccc(F)cc4)no3)C1)CC(C)(C)O2
InChIInChI=1S/C27H31FN4O3/c1-17-6-11-23-21(13-17)22(14-27(2,3)34-23)29-26(33)19-5-4-12-32(15-19)16-24-30-25(31-35-24)18-7-9-20(28)10-8-18/h6-11,13,19,22H,4-5,12,14-16H2,1-3H3,(H,29,33)
InChIKeyVWHRSESHEZBOOD-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.81
Rot. Bonds5

About 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide (PubChem CID 43931878) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide
PubChem CID43931878
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)C1CCCN(Cc3nc(-c4ccc(F)cc4)no3)C1)CC(C)(C)O2
InChIInChI=1S/C27H31FN4O3/c1-17-6-11-23-21(13-17)22(14-27(2,3)34-23)29-26(33)19-5-4-12-32(15-19)16-24-30-25(31-35-24)18-7-9-20(28)10-8-18/h6-11,13,19,22H,4-5,12,14-16H2,1-3H3,(H,29,33)
InChIKeyVWHRSESHEZBOOD-UHFFFAOYSA-N
XLogP4.81
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927827
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930506
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100671166
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926987
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43931829
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929816
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926904
dimethyl 5-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43931717
N-(3,4-difluorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930473
N-[3-(dimethylamino)propyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931739
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930423
N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931691

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide (CID 43931878) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide is Cc1ccc2c(c1)C(NC(=O)C1CCCN(Cc3nc(-c4ccc(F)cc4)no3)C1)CC(C)(C)O2.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide?
The InChIKey is VWHRSESHEZBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-17-6-11-23-21(13-17)22(14-27(2,3)34-23)29-26(33)19-5-4-12-32(15-19)16-24-30-25(31-35-24)18-7-9-20(28)10-8-18/h6-11,13,19,22H,4-5,12,14-16H2,1-3H3,(H,29,33).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43931878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).