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

C27H33N5O3 — CID 38140129

IUPAC1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCC(C)C)CC3)n2)c1
InChIInChI=1S/C27H33N5O3/c1-18(2)16-28-27(34)22-9-4-5-10-23(22)29-26(33)20-11-13-32(14-12-20)17-24-30-25(31-35-24)21-8-6-7-19(3)15-21/h4-10,15,18,20H,11-14,16-17H2,1-3H3,(H,28,34)(H,29,33)
InChIKeyNFZJLDYINSLRCP-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.28
Rot. Bonds8

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

1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 38140129) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID38140129
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCC(C)C)CC3)n2)c1
InChIInChI=1S/C27H33N5O3/c1-18(2)16-28-27(34)22-9-4-5-10-23(22)29-26(33)20-11-13-32(14-12-20)17-24-30-25(31-35-24)21-8-6-7-19(3)15-21/h4-10,15,18,20H,11-14,16-17H2,1-3H3,(H,28,34)(H,29,33)
InChIKeyNFZJLDYINSLRCP-UHFFFAOYSA-N
XLogP4.28
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140358
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 38139465
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38144186
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38148796
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 38142223
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926695
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43927202
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115317
N-[(2-methylphenyl)methyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38139803
N-(2-methoxy-5-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38139878
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 38140129) is 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide is Cc1cccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCC(C)C)CC3)n2)c1.
What is the InChIKey of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NFZJLDYINSLRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-18(2)16-28-27(34)22-9-4-5-10-23(22)29-26(33)20-11-13-32(14-12-20)17-24-30-25(31-35-24)21-8-6-7-19(3)15-21/h4-10,15,18,20H,11-14,16-17H2,1-3H3,(H,28,34)(H,29,33).
What are the key properties of 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38140129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).