[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C17H21ClN4O2 — CID 119579142

IUPAC[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCN1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-11-10-21(9-8-18-11)17(22)14-6-4-13(5-7-14)16-19-15(20-23-16)12-2-3-12;/h4-7,11-12,18H,2-3,8-10H2,1H3;1H
InChIKeyXPNJCRADNCCVSD-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.47
Rot. Bonds3

About [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119579142) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119579142
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCN1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-11-10-21(9-8-18-11)17(22)14-6-4-13(5-7-14)16-19-15(20-23-16)12-2-3-12;/h4-7,11-12,18H,2-3,8-10H2,1H3;1H
InChIKeyXPNJCRADNCCVSD-UHFFFAOYSA-N
XLogP2.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997655
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577941
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 166331693
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119579142) is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCN1.Cl.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is XPNJCRADNCCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-11-10-21(9-8-18-11)17(22)14-6-4-13(5-7-14)16-19-15(20-23-16)12-2-3-12;/h4-7,11-12,18H,2-3,8-10H2,1H3;1H.
What are the key properties of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 2.47, 3 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)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119579142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).