1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide

C26H31ClN4O3 — CID 38143972

IUPAC1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1
InChIInChI=1S/C26H31ClN4O3/c1-26(2,3)19-7-5-17(6-8-19)24-29-23(34-30-24)16-31-13-11-18(12-14-31)25(32)28-21-15-20(27)9-10-22(21)33-4/h5-10,15,18H,11-14,16H2,1-4H3,(H,28,32)
InChIKeyKVCGMDMLUIBYCM-UHFFFAOYSA-N
MW483.01 g/mol
LogP5.55
Rot. Bonds6

About 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 38143972) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID38143972
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Name1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1
InChIInChI=1S/C26H31ClN4O3/c1-26(2,3)19-7-5-17(6-8-19)24-29-23(34-30-24)16-31-13-11-18(12-14-31)25(32)28-21-15-20(27)9-10-22(21)33-4/h5-10,15,18H,11-14,16H2,1-4H3,(H,28,32)
InChIKeyKVCGMDMLUIBYCM-UHFFFAOYSA-N
XLogP5.55
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 38144044
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927635
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928087
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
N-(5-chloro-2-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115243
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 38144361
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38143669
N-(2-methoxy-5-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38139878
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43928237
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide (CID 38143972) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is KVCGMDMLUIBYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-26(2,3)19-7-5-17(6-8-19)24-29-23(34-30-24)16-31-13-11-18(12-14-31)25(32)28-21-15-20(27)9-10-22(21)33-4/h5-10,15,18H,11-14,16H2,1-4H3,(H,28,32).
What are the key properties of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide?
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38143972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).