N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

C14H25ClN4O2 — CID 120575981

IUPACN-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCC(C)c1noc(CCC(=O)NC2CCCNC2C)n1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-9(2)14-17-13(20-18-14)7-6-12(19)16-11-5-4-8-15-10(11)3;/h9-11,15H,4-8H2,1-3H3,(H,16,19);1H
InChIKeyZHHJZHFKPBBCJT-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.80
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (PubChem CID 120575981) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
PubChem CID120575981
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC NameN-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCC(C)c1noc(CCC(=O)NC2CCCNC2C)n1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-9(2)14-17-13(20-18-14)7-6-12(19)16-11-5-4-8-15-10(11)3;/h9-11,15H,4-8H2,1-3H3,(H,16,19);1H
InChIKeyZHHJZHFKPBBCJT-UHFFFAOYSA-N
XLogP1.80
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511913
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 94867360
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879
N-cyclohexylsulfonyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 75418435
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535454
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547754
3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
CID 120573407
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 96548701
N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39877535
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (CID 120575981) is N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is CC(C)c1noc(CCC(=O)NC2CCCNC2C)n1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The InChIKey is ZHHJZHFKPBBCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-9(2)14-17-13(20-18-14)7-6-12(19)16-11-5-4-8-15-10(11)3;/h9-11,15H,4-8H2,1-3H3,(H,16,19);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 120575981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).