1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C22H21Cl2N5O3 — CID 55818394

IUPAC1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C22H21Cl2N5O3/c23-16-3-1-14(2-4-16)21-27-19(32-28-21)7-8-20(30)29-11-9-15(10-12-29)22(31)26-18-6-5-17(24)13-25-18/h1-6,13,15H,7-12H2,(H,25,26,31)
InChIKeyUELFCHJMHPQVER-UHFFFAOYSA-N
MW474.35 g/mol
LogP4.25
Rot. Bonds6

About 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55818394) has the molecular formula C22H21Cl2N5O3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55818394
Molecular FormulaC22H21Cl2N5O3
Molecular Weight474.35 g/mol
Exact Mass473.10
IUPAC Name1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C22H21Cl2N5O3/c23-16-3-1-14(2-4-16)21-27-19(32-28-21)7-8-20(30)29-11-9-15(10-12-29)22(31)26-18-6-5-17(24)13-25-18/h1-6,13,15H,7-12H2,(H,25,26,31)
InChIKeyUELFCHJMHPQVER-UHFFFAOYSA-N
XLogP4.25
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
CID 55924672
1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9036823
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543211
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperidine-4-carboxamide
CID 46429860
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119560523
1-(4-aminopiperidin-1-yl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119373593
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 51218802
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519464
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 3593646
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255728
2-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566501

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55818394) is 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is UELFCHJMHPQVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O3/c23-16-3-1-14(2-4-16)21-27-19(32-28-21)7-8-20(30)29-11-9-15(10-12-29)22(31)26-18-6-5-17(24)13-25-18/h1-6,13,15H,7-12H2,(H,25,26,31).
What are the key properties of 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 474.35 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55818394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).