1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C19H20N4O2S — CID 42522322

IUPAC1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccsc2)o1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(2-1-17-21-22-19(25-17)16-7-12-26-13-16)23-10-5-15(6-11-23)14-3-8-20-9-4-14/h3-4,7-9,12-13,15H,1-2,5-6,10-11H2
InChIKeyNQAYEGKMKVRLQX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 42522322) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID42522322
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccsc2)o1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(2-1-17-21-22-19(25-17)16-7-12-26-13-16)23-10-5-15(6-11-23)14-3-8-20-9-4-14/h3-4,7-9,12-13,15H,1-2,5-6,10-11H2
InChIKeyNQAYEGKMKVRLQX-UHFFFAOYSA-N
XLogP3.53
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38009868
1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31104889
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 39458040
1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38073005
N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 38019028
1-(3-cyclopropyl-3-methylmorpholin-4-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 136567871
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 166250034
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38031071
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 42522322) is 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1nnc(-c2ccsc2)o1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is NQAYEGKMKVRLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(2-1-17-21-22-19(25-17)16-7-12-26-13-16)23-10-5-15(6-11-23)14-3-8-20-9-4-14/h3-4,7-9,12-13,15H,1-2,5-6,10-11H2.
What are the key properties of 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 368.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylpiperidin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 42522322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).