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

C23H25ClN4O2 — CID 30153604

IUPAC(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCC[C@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)C2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-16-5-11-20(12-6-16)28-13-3-4-18(14-28)23(29)27(2)15-21-25-22(26-30-21)17-7-9-19(24)10-8-17/h5-12,18H,3-4,13-15H2,1-2H3/t18-/m0/s1
InChIKeyXEMNBOQKHHZLJM-SFHVURJKSA-N
MW424.93 g/mol
LogP4.57
Rot. Bonds5

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

(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 30153604) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID30153604
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCC[C@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)C2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-16-5-11-20(12-6-16)28-13-3-4-18(14-28)23(29)27(2)15-21-25-22(26-30-21)17-7-9-19(24)10-8-17/h5-12,18H,3-4,13-15H2,1-2H3/t18-/m0/s1
InChIKeyXEMNBOQKHHZLJM-SFHVURJKSA-N
XLogP4.57
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153690
(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153628
N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 43889604
(3S)-N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153745
(3R)-N-tert-butyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153994
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72842603
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930624
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 8894540

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide (CID 30153604) is (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(N2CCC[C@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)C2)cc1.
What is the InChIKey of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is XEMNBOQKHHZLJM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-5-11-20(12-6-16)28-13-3-4-18(14-28)23(29)27(2)15-21-25-22(26-30-21)17-7-9-19(24)10-8-17/h5-12,18H,3-4,13-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide?
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 30153604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).