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

C28H34N4O4 — CID 43926987

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C28H34N4O4/c1-18-5-7-19(8-6-18)26-30-25(36-31-26)17-32-13-11-20(12-14-32)27(33)29-23-16-28(2,3)35-24-15-21(34-4)9-10-22(23)24/h5-10,15,20,23H,11-14,16-17H2,1-4H3,(H,29,33)
InChIKeyMGTKQFJABGAGEY-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.68
Rot. Bonds6

About 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

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 (PubChem CID 43926987) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43926987
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C28H34N4O4/c1-18-5-7-19(8-6-18)26-30-25(36-31-26)17-32-13-11-20(12-14-32)27(33)29-23-16-28(2,3)35-24-15-21(34-4)9-10-22(23)24/h5-10,15,20,23H,11-14,16-17H2,1-4H3,(H,29,33)
InChIKeyMGTKQFJABGAGEY-UHFFFAOYSA-N
XLogP4.68
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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-(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-(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
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-(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
1-[(2-fluorophenyl)methyl]-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013919
1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013920
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013869
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766308
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)OC(C)(C)CC2NC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1.
What is the InChIKey of 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?
The InChIKey is MGTKQFJABGAGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18-5-7-19(8-6-18)26-30-25(36-31-26)17-32-13-11-20(12-14-32)27(33)29-23-16-28(2,3)35-24-15-21(34-4)9-10-22(23)24/h5-10,15,20,23H,11-14,16-17H2,1-4H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 490.60 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 43926987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).