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

C26H29FN4O3 — CID 43927827

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c2ccccc2O1
InChIInChI=1S/C26H29FN4O3/c1-26(2)15-21(20-5-3-4-6-22(20)33-26)28-25(32)18-11-13-31(14-12-18)16-23-29-24(30-34-23)17-7-9-19(27)10-8-17/h3-10,18,21H,11-16H2,1-2H3,(H,28,32)
InChIKeyXZPQEVNCAPCFJI-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.51
Rot. Bonds5

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

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43927827) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43927827
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c2ccccc2O1
InChIInChI=1S/C26H29FN4O3/c1-26(2)15-21(20-5-3-4-6-22(20)33-26)28-25(32)18-11-13-31(14-12-18)16-23-29-24(30-34-23)17-7-9-19(27)10-8-17/h3-10,18,21H,11-16H2,1-2H3,(H,28,32)
InChIKeyXZPQEVNCAPCFJI-UHFFFAOYSA-N
XLogP4.51
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926743
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
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
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926905
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926822
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
N,N-diethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151428
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 33083933
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43927808

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 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) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is CC1(C)CC(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is XZPQEVNCAPCFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-26(2)15-21(20-5-3-4-6-22(20)33-26)28-25(32)18-11-13-31(14-12-18)16-23-29-24(30-34-23)17-7-9-19(27)10-8-17/h3-10,18,21H,11-16H2,1-2H3,(H,28,32).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43927827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).