N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C28H26Cl2N4O2 — CID 43928399

IUPACN-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-11-12-23(24(30)17-22)27-31-25(36-33-27)18-34-15-13-21(14-16-34)28(35)32-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,26H,13-16,18H2,(H,32,35)
InChIKeyWDIBHLBXURFMHN-UHFFFAOYSA-N
MW521.45 g/mol
LogP6.16
Rot. Bonds7

About N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43928399) has the molecular formula C28H26Cl2N4O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43928399
Molecular FormulaC28H26Cl2N4O2
Molecular Weight521.45 g/mol
Exact Mass520.14
IUPAC NameN-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1
InChIInChI=1S/C28H26Cl2N4O2/c29-22-11-12-23(24(30)17-22)27-31-25(36-33-27)18-34-15-13-21(14-16-34)28(35)32-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,26H,13-16,18H2,(H,32,35)
InChIKeyWDIBHLBXURFMHN-UHFFFAOYSA-N
XLogP6.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43928504
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43928593
N-[(2-chlorophenyl)methyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928340
N-cyclopropyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928283
N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927942
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38158820
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 43928297
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 43928546
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43928237
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 43928278

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43928399) is N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1.
What is the InChIKey of N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is WDIBHLBXURFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O2/c29-22-11-12-23(24(30)17-22)27-31-25(36-33-27)18-34-15-13-21(14-16-34)28(35)32-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,26H,13-16,18H2,(H,32,35).
What are the key properties of N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 521.45 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).