N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C28H30N4O2S — CID 43929009

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(Cc3nc(-c4cccs4)no3)CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H30N4O2S/c1-19-10-11-23(20(2)17-19)26(21-7-4-3-5-8-21)30-28(33)22-12-14-32(15-13-22)18-25-29-27(31-34-25)24-9-6-16-35-24/h3-11,16-17,22,26H,12-15,18H2,1-2H3,(H,30,33)
InChIKeyDAVQOLRBTATGPC-UHFFFAOYSA-N
MW486.64 g/mol
LogP5.53
Rot. Bonds7

About N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 43929009) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID43929009
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(Cc3nc(-c4cccs4)no3)CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H30N4O2S/c1-19-10-11-23(20(2)17-19)26(21-7-4-3-5-8-21)30-28(33)22-12-14-32(15-13-22)18-25-29-27(31-34-25)24-9-6-16-35-24/h3-11,16-17,22,26H,12-15,18H2,1-2H3,(H,30,33)
InChIKeyDAVQOLRBTATGPC-UHFFFAOYSA-N
XLogP5.53
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935210
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43926889
N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930280
N-[1-(4-methoxyphenyl)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928905
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2,4-dimethylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43932345
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874
N-[1-(4-ethoxyphenyl)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928907
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43928504
N-[1-(2,4-dimethylphenyl)ethyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926800
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43927863

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 43929009) is N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1ccc(C(NC(=O)C2CCN(Cc3nc(-c4cccs4)no3)CC2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DAVQOLRBTATGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-19-10-11-23(20(2)17-19)26(21-7-4-3-5-8-21)30-28(33)22-12-14-32(15-13-22)18-25-29-27(31-34-25)24-9-6-16-35-24/h3-11,16-17,22,26H,12-15,18H2,1-2H3,(H,30,33).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43929009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).