N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C22H23ClN4O2 — CID 18266633

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C22H23ClN4O2/c23-17-9-10-19(27-13-5-2-6-14-27)18(15-17)24-20(28)11-12-21-25-22(26-29-21)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,24,28)
InChIKeyHRSMWSVSHXZLAW-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.95
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18266633) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18266633
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C22H23ClN4O2/c23-17-9-10-19(27-13-5-2-6-14-27)18(15-17)24-20(28)11-12-21-25-22(26-29-21)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,24,28)
InChIKeyHRSMWSVSHXZLAW-UHFFFAOYSA-N
XLogP4.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55531183
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566612
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16597590
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-pyrrolidin-1-ylbenzamide
CID 41269960
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 36770643
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide
CID 55552771
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614527
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55807161
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24599946
N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24652788
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 18266633) is N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HRSMWSVSHXZLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-17-9-10-19(27-13-5-2-6-14-27)18(15-17)24-20(28)11-12-21-25-22(26-29-21)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,24,28).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 410.91 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18266633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).