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

C26H30Cl2N4O4 — CID 43934718

IUPAC1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)C2)cc1OCC
InChIInChI=1S/C26H30Cl2N4O4/c1-3-34-22-10-7-17(12-23(22)35-4-2)14-29-26(33)18-6-5-11-32(15-18)16-24-30-25(31-36-24)20-9-8-19(27)13-21(20)28/h7-10,12-13,18H,3-6,11,14-16H2,1-2H3,(H,29,33)
InChIKeyDHNTVJZSGJFERO-UHFFFAOYSA-N
MW533.46 g/mol
LogP5.37
Rot. Bonds10

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

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43934718) has the molecular formula C26H30Cl2N4O4 and a molecular weight of 533.46 g/mol. Its IUPAC name is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID43934718
Molecular FormulaC26H30Cl2N4O4
Molecular Weight533.46 g/mol
Exact Mass532.16
IUPAC Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)C2)cc1OCC
InChIInChI=1S/C26H30Cl2N4O4/c1-3-34-22-10-7-17(12-23(22)35-4-2)14-29-26(33)18-6-5-11-32(15-18)16-24-30-25(31-36-24)20-9-8-19(27)13-21(20)28/h7-10,12-13,18H,3-6,11,14-16H2,1-2H3,(H,29,33)
InChIKeyDHNTVJZSGJFERO-UHFFFAOYSA-N
XLogP5.37
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43934860
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43934870
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43933871
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934025
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934821
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43934524
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 43928557
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43934529
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43931365
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933707
ethyl 3-[[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43934749
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43933497

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide (CID 43934718) is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide is CCOc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)C2)cc1OCC.
What is the InChIKey of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DHNTVJZSGJFERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4O4/c1-3-34-22-10-7-17(12-23(22)35-4-2)14-29-26(33)18-6-5-11-32(15-18)16-24-30-25(31-36-24)20-9-8-19(27)13-21(20)28/h7-10,12-13,18H,3-6,11,14-16H2,1-2H3,(H,29,33).
What are the key properties of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide?
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 533.46 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43934718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).