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

C26H29ClN4O4 — CID 3558850

IUPACN-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
SMILESCCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1
InChIInChI=1S/C26H29ClN4O4/c1-2-15-30(24(33)18-34-21-8-4-3-5-9-21)17-23(32)31-16-7-6-10-22(31)26-28-25(29-35-26)19-11-13-20(27)14-12-19/h3-5,8-9,11-14,22H,2,6-7,10,15-18H2,1H3
InChIKeyMWTNLVXXHBNMRY-UHFFFAOYSA-N
MW497.00 g/mol
LogP4.76
Rot. Bonds9

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

N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide (PubChem CID 3558850) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
PubChem CID3558850
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC NameN-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
SMILESCCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1
InChIInChI=1S/C26H29ClN4O4/c1-2-15-30(24(33)18-34-21-8-4-3-5-9-21)17-23(32)31-16-7-6-10-22(31)26-28-25(29-35-26)19-11-13-20(27)14-12-19/h3-5,8-9,11-14,22H,2,6-7,10,15-18H2,1H3
InChIKeyMWTNLVXXHBNMRY-UHFFFAOYSA-N
XLogP4.76
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3927157
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42767293
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
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
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538
N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
(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
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 4310348
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686960
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139

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-phenoxy-N-propylacetamide?
The IUPAC name of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide (CID 3558850) is N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide.
What is the SMILES notation for N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide?
The canonical SMILES for N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide is CCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1.
What is the InChIKey of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide?
The InChIKey is MWTNLVXXHBNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-2-15-30(24(33)18-34-21-8-4-3-5-9-21)17-23(32)31-16-7-6-10-22(31)26-28-25(29-35-26)19-11-13-20(27)14-12-19/h3-5,8-9,11-14,22H,2,6-7,10,15-18H2,1H3.
What are the key properties of N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide?
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide has a molecular weight of 497.00 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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-phenoxy-N-propylacetamide is sourced from PubChem (CID 3558850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).