4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide

C17H22N4O3 — CID 111424867

IUPAC4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCC(C(C)O)CC3)c2)no1
InChIInChI=1S/C17H22N4O3/c1-11(22)13-6-8-21(9-7-13)17(23)19-15-5-3-4-14(10-15)16-18-12(2)24-20-16/h3-5,10-11,13,22H,6-9H2,1-2H3,(H,19,23)
InChIKeyNZZNRGSGMZFXAZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.67
Rot. Bonds3

About 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide (PubChem CID 111424867) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
PubChem CID111424867
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3CCC(C(C)O)CC3)c2)no1
InChIInChI=1S/C17H22N4O3/c1-11(22)13-6-8-21(9-7-13)17(23)19-15-5-3-4-14(10-15)16-18-12(2)24-20-16/h3-5,10-11,13,22H,6-9H2,1-2H3,(H,19,23)
InChIKeyNZZNRGSGMZFXAZ-UHFFFAOYSA-N
XLogP2.67
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
(3R)-3-methyl-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxopiperidine-1-carboxamide
CID 99802633
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
4-(1-hydroxyethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126775780
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71915921
4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674434
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide (CID 111424867) is 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide is Cc1nc(-c2cccc(NC(=O)N3CCC(C(C)O)CC3)c2)no1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is NZZNRGSGMZFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(22)13-6-8-21(9-7-13)17(23)19-15-5-3-4-14(10-15)16-18-12(2)24-20-16/h3-5,10-11,13,22H,6-9H2,1-2H3,(H,19,23).
What are the key properties of 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 111424867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).