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

C22H21Cl2N5O3 — CID 43928410

IUPACN-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1
InChIInChI=1S/C22H21Cl2N5O3/c23-15-3-6-17(18(24)11-15)21-27-19(32-28-21)12-29-9-7-14(8-10-29)22(31)26-16-4-1-13(2-5-16)20(25)30/h1-6,11,14H,7-10,12H2,(H2,25,30)(H,26,31)
InChIKeyOJTJJGHNNXGZJV-UHFFFAOYSA-N
MW474.35 g/mol
LogP3.99
Rot. Bonds6

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

N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43928410) has the molecular formula C22H21Cl2N5O3 and a molecular weight of 474.35 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43928410
Molecular FormulaC22H21Cl2N5O3
Molecular Weight474.35 g/mol
Exact Mass473.10
IUPAC NameN-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1
InChIInChI=1S/C22H21Cl2N5O3/c23-15-3-6-17(18(24)11-15)21-27-19(32-28-21)12-29-9-7-14(8-10-29)22(31)26-16-4-1-13(2-5-16)20(25)30/h1-6,11,14H,7-10,12H2,(H2,25,30)(H,26,31)
InChIKeyOJTJJGHNNXGZJV-UHFFFAOYSA-N
XLogP3.99
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 43928240
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
N-cyclopropyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928283
N-[(2-chlorophenyl)methyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928340
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
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928399
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43928321
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 43928450
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934663

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43928410) is N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is NC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is OJTJJGHNNXGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3/c23-15-3-6-17(18(24)11-15)21-27-19(32-28-21)12-29-9-7-14(8-10-29)22(31)26-16-4-1-13(2-5-16)20(25)30/h1-6,11,14H,7-10,12H2,(H2,25,30)(H,26,31).
What are the key properties of N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 474.35 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).