(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide

C23H26N4O3 — CID 30153820

IUPAC(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-5-9-19(10-6-16)27-13-3-4-18(15-27)23(28)24-14-21-25-22(26-30-21)17-7-11-20(29-2)12-8-17/h5-12,18H,3-4,13-15H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyDOQADUGEGHBWNT-SFHVURJKSA-N
MW406.49 g/mol
LogP3.59
Rot. Bonds6

About (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide

(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 30153820) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID30153820
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-5-9-19(10-6-16)27-13-3-4-18(15-27)23(28)24-14-21-25-22(26-30-21)17-7-11-20(29-2)12-8-17/h5-12,18H,3-4,13-15H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyDOQADUGEGHBWNT-SFHVURJKSA-N
XLogP3.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930987
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563
1-(dimethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 132667271
1-[(2-chlorophenyl)methyl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 132672164
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
N-[3-(4-methoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930545
1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
1-cyclohexyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110610632
N-[(4-ethoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930994
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43930585

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide (CID 30153820) is (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide is COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1.
What is the InChIKey of (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is DOQADUGEGHBWNT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-5-9-19(10-6-16)27-13-3-4-18(15-27)23(28)24-14-21-25-22(26-30-21)17-7-11-20(29-2)12-8-17/h5-12,18H,3-4,13-15H2,1-2H3,(H,24,28)/t18-/m0/s1.
What are the key properties of (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide?
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 30153820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).