N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide

C22H29ClN4O3 — CID 3927157

IUPACN-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)C
InChIInChI=1S/C22H29ClN4O3/c1-4-12-26(22(29)15(2)3)14-19(28)27-13-6-5-7-18(27)21-24-20(25-30-21)16-8-10-17(23)11-9-16/h8-11,15,18H,4-7,12-14H2,1-3H3
InChIKeyXLTFXIGYSBZXLQ-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.34
Rot. Bonds7

About N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide

N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide (PubChem CID 3927157) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
PubChem CID3927157
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC NameN-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)C
InChIInChI=1S/C22H29ClN4O3/c1-4-12-26(22(29)15(2)3)14-19(28)27-13-6-5-7-18(27)21-24-20(25-30-21)16-8-10-17(23)11-9-16/h8-11,15,18H,4-7,12-14H2,1-3H3
InChIKeyXLTFXIGYSBZXLQ-UHFFFAOYSA-N
XLogP4.34
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42767293
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
CID 3558850
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 4310348
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide
CID 3582947
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 4537441
2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4647461
N-benzyl-N-[2-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]nonanamide
CID 98396509
N-benzyl-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 3640682
(E)-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 6090029
[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777
N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide
CID 3353800

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide?
The IUPAC name of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide (CID 3927157) is N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide is CCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)C.
What is the InChIKey of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide?
The InChIKey is XLTFXIGYSBZXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-4-12-26(22(29)15(2)3)14-19(28)27-13-6-5-7-18(27)21-24-20(25-30-21)16-8-10-17(23)11-9-16/h8-11,15,18H,4-7,12-14H2,1-3H3.
What are the key properties of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide?
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide has a molecular weight of 432.95 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 3927157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).