1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

C26H31N5O3 — CID 43929579

IUPAC1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccccc3C(=O)NC(C)C)C2)n1
InChIInChI=1S/C26H31N5O3/c1-17(2)27-26(33)21-12-6-7-13-22(21)28-25(32)19-10-8-14-31(15-19)16-23-29-24(30-34-23)20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyMZWKRGQNZKOCCO-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.03
Rot. Bonds7

About 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43929579) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43929579
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccccc3C(=O)NC(C)C)C2)n1
InChIInChI=1S/C26H31N5O3/c1-17(2)27-26(33)21-12-6-7-13-22(21)28-25(32)19-10-8-14-31(15-19)16-23-29-24(30-34-23)20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyMZWKRGQNZKOCCO-UHFFFAOYSA-N
XLogP4.03
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43929847
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43929643
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929651
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929592
ethyl 2-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933673
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935041
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 43929537
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627
N-[1-(2-methoxyphenoxy)propan-2-yl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929854
N-(2-methoxy-5-nitrophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929591

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43929579) is 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is Cc1ccccc1-c1noc(CN2CCCC(C(=O)Nc3ccccc3C(=O)NC(C)C)C2)n1.
What is the InChIKey of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is MZWKRGQNZKOCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-17(2)27-26(33)21-12-6-7-13-22(21)28-25(32)19-10-8-14-31(15-19)16-23-29-24(30-34-23)20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).