1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C27H32N4O4 — CID 43927735

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)NC4CCCc5ccccc54)CC3)n2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-33-23-11-10-20(16-24(23)34-2)26-29-25(35-30-26)17-31-14-12-19(13-15-31)27(32)28-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,16,19,22H,5,7,9,12-15,17H2,1-2H3,(H,28,32)
InChIKeyVGVQRXQVNVBLKQ-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.16
Rot. Bonds7

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 43927735) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID43927735
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)NC4CCCc5ccccc54)CC3)n2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-33-23-11-10-20(16-24(23)34-2)26-29-25(35-30-26)17-31-14-12-19(13-15-31)27(32)28-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,16,19,22H,5,7,9,12-15,17H2,1-2H3,(H,28,32)
InChIKeyVGVQRXQVNVBLKQ-UHFFFAOYSA-N
XLogP4.16
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
N-(3,4-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922837
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 20922898
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 38150611
[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541245
N-[3-(azepan-1-yl)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922951
N-(3-chloro-2-methylphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922943
N-[3-(diethylamino)propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922847
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927781
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 20922851
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 20922868
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 38150730

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 43927735) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)NC4CCCc5ccccc54)CC3)n2)cc1OC.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is VGVQRXQVNVBLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-33-23-11-10-20(16-24(23)34-2)26-29-25(35-30-26)17-31-14-12-19(13-15-31)27(32)28-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,16,19,22H,5,7,9,12-15,17H2,1-2H3,(H,28,32).
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43927735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).