4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide

C21H23N5O3S — CID 4178179

IUPAC4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1)NCc1ccncc1
InChIInChI=1S/C21H23N5O3S/c27-18(23-14-15-5-9-22-10-6-15)3-4-19(28)26-11-7-16(8-12-26)21-24-20(25-29-21)17-2-1-13-30-17/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12,14H2,(H,23,27)
InChIKeyOBPAJTAKNKLAFP-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.00
Rot. Bonds7

About 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide

4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide (PubChem CID 4178179) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide
PubChem CID4178179
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1)NCc1ccncc1
InChIInChI=1S/C21H23N5O3S/c27-18(23-14-15-5-9-22-10-6-15)3-4-19(28)26-11-7-16(8-12-26)21-24-20(25-29-21)17-2-1-13-30-17/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12,14H2,(H,23,27)
InChIKeyOBPAJTAKNKLAFP-UHFFFAOYSA-N
XLogP3.00
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 52952191
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 67251435
N-[(4-chlorophenyl)methyl]-2-[(2S)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95104348
dimethyl-[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]silanylium
CID 143603365
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 87051841
1-cyclopent-2-en-1-yl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24804269
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42764789

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide?
The IUPAC name of 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide (CID 4178179) is 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide.
What is the SMILES notation for 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide?
The canonical SMILES for 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide is O=C(CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1)NCc1ccncc1.
What is the InChIKey of 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide?
The InChIKey is OBPAJTAKNKLAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-18(23-14-15-5-9-22-10-6-15)3-4-19(28)26-11-7-16(8-12-26)21-24-20(25-29-21)17-2-1-13-30-17/h1-2,5-6,9-10,13,16H,3-4,7-8,11-12,14H2,(H,23,27).
What are the key properties of 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide?
4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide has a molecular weight of 425.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-4-ylmethyl)-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butanamide is sourced from PubChem (CID 4178179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).