N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide

C32H33ClN4O3 — CID 42766080

IUPACN-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
SMILESCC(C)N(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33ClN4O3/c1-22(2)37(32(39)29(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-28(38)36-19-10-9-18-27(36)31-34-30(35-40-31)25-16-11-17-26(33)20-25/h3-8,11-17,20,22,27,29H,9-10,18-19,21H2,1-2H3
InChIKeyKCOFBOACNIUHHO-UHFFFAOYSA-N
MW557.09 g/mol
LogP6.51
Rot. Bonds8

About N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide (PubChem CID 42766080) has the molecular formula C32H33ClN4O3 and a molecular weight of 557.09 g/mol. Its IUPAC name is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
PubChem CID42766080
Molecular FormulaC32H33ClN4O3
Molecular Weight557.09 g/mol
Exact Mass556.22
IUPAC NameN-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
SMILESCC(C)N(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33ClN4O3/c1-22(2)37(32(39)29(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-28(38)36-19-10-9-18-27(36)31-34-30(35-40-31)25-16-11-17-26(33)20-25/h3-8,11-17,20,22,27,29H,9-10,18-19,21H2,1-2H3
InChIKeyKCOFBOACNIUHHO-UHFFFAOYSA-N
XLogP6.51
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.09
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4656396
2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
CID 4618288
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-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 42760502
1-[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 813041
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide
CID 3582952
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide
CID 3353800
N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53206165
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 42767306
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
CID 42765254

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide?
The IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide (CID 42766080) is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide is CC(C)N(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide?
The InChIKey is KCOFBOACNIUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O3/c1-22(2)37(32(39)29(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-28(38)36-19-10-9-18-27(36)31-34-30(35-40-31)25-16-11-17-26(33)20-25/h3-8,11-17,20,22,27,29H,9-10,18-19,21H2,1-2H3.
What are the key properties of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide?
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide has a molecular weight of 557.09 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 42766080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).