4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride

C14H23ClN4O2 — CID 119577941

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-10-9-18(8-7-15-10)13(19)4-2-3-12-16-14(17-20-12)11-5-6-11;/h10-11,15H,2-9H2,1H3;1H
InChIKeyDPZNRYFVLCCQPS-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.51
Rot. Bonds5

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 119577941) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID119577941
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-10-9-18(8-7-15-10)13(19)4-2-3-12-16-14(17-20-12)11-5-6-11;/h10-11,15H,2-9H2,1H3;1H
InChIKeyDPZNRYFVLCCQPS-UHFFFAOYSA-N
XLogP1.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride with MolForge

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Related Compounds

1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 84584459
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120997409
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119580091
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579142
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120732430
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride (CID 119577941) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride is CC1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1.Cl.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is DPZNRYFVLCCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.ClH/c1-10-9-18(8-7-15-10)13(19)4-2-3-12-16-14(17-20-12)11-5-6-11;/h10-11,15H,2-9H2,1H3;1H.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119577941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).