N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride

C14H27Cl2N5O2 — CID 155823355

IUPACN,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
SMILESCCN(CC)C(=O)CCc1nc(CN2CCNCC2)no1.Cl.Cl
InChIInChI=1S/C14H25N5O2.2ClH/c1-3-19(4-2)14(20)6-5-13-16-12(17-21-13)11-18-9-7-15-8-10-18;;/h15H,3-11H2,1-2H3;2*1H
InChIKeyNJPJDQKSOPJCGK-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.12
Rot. Bonds7

About N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride

N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride (PubChem CID 155823355) has the molecular formula C14H27Cl2N5O2 and a molecular weight of 368.31 g/mol. Its IUPAC name is N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
PubChem CID155823355
Molecular FormulaC14H27Cl2N5O2
Molecular Weight368.31 g/mol
Exact Mass367.15
IUPAC NameN,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
SMILESCCN(CC)C(=O)CCc1nc(CN2CCNCC2)no1.Cl.Cl
InChIInChI=1S/C14H25N5O2.2ClH/c1-3-19(4-2)14(20)6-5-13-16-12(17-21-13)11-18-9-7-15-8-10-18;;/h15H,3-11H2,1-2H3;2*1H
InChIKeyNJPJDQKSOPJCGK-UHFFFAOYSA-N
XLogP1.12
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918519
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide
CID 20918527
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927
N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918424
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342313
N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 20918557
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539
N-benzyl-3-[3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
CID 46278404
3-[3-[(4-butanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278442
N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 146052986
N-benzyl-N-ethyl-3-[3-[[4-(4-nitrobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 24793624

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride?
The IUPAC name of N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride (CID 155823355) is N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride.
What is the SMILES notation for N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride?
The canonical SMILES for N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride is CCN(CC)C(=O)CCc1nc(CN2CCNCC2)no1.Cl.Cl.
What is the InChIKey of N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride?
The InChIKey is NJPJDQKSOPJCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2.2ClH/c1-3-19(4-2)14(20)6-5-13-16-12(17-21-13)11-18-9-7-15-8-10-18;;/h15H,3-11H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride?
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride is sourced from PubChem (CID 155823355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).