2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride

C13H24ClN5O2 — CID 119914992

IUPAC2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCCCc1nc(CN(C)CC(=O)N2CCNCC2)no1.Cl
InChIInChI=1S/C13H23N5O2.ClH/c1-3-4-12-15-11(16-20-12)9-17(2)10-13(19)18-7-5-14-6-8-18;/h14H,3-10H2,1-2H3;1H
InChIKeyKXEQLLBFQKBTNF-UHFFFAOYSA-N
MW317.82 g/mol
LogP0.31
Rot. Bonds6

About 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride

2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119914992) has the molecular formula C13H24ClN5O2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119914992
Molecular FormulaC13H24ClN5O2
Molecular Weight317.82 g/mol
Exact Mass317.16
IUPAC Name2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCCCc1nc(CN(C)CC(=O)N2CCNCC2)no1.Cl
InChIInChI=1S/C13H23N5O2.ClH/c1-3-4-12-15-11(16-20-12)9-17(2)10-13(19)18-7-5-14-6-8-18;/h14H,3-10H2,1-2H3;1H
InChIKeyKXEQLLBFQKBTNF-UHFFFAOYSA-N
XLogP0.31
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride with MolForge

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Related Compounds

2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915107
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915259
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
CID 61496101
2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915183
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915477
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017271
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride (CID 119914992) is 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride is CCCc1nc(CN(C)CC(=O)N2CCNCC2)no1.Cl.
What is the InChIKey of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is KXEQLLBFQKBTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2.ClH/c1-3-4-12-15-11(16-20-12)9-17(2)10-13(19)18-7-5-14-6-8-18;/h14H,3-10H2,1-2H3;1H.
What are the key properties of 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride?
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119914992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).