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

C18H24ClN5O2 — CID 120732430

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCl.O=C(CCCc1nc(C2CC2)no1)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H23N5O2.ClH/c24-17(5-1-4-16-21-18(22-25-16)13-6-7-13)23-10-9-20-12-15(23)14-3-2-8-19-11-14;/h2-3,8,11,13,15,20H,1,4-7,9-10,12H2;1H
InChIKeyVVXDZIFIBFPOMF-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.26
Rot. Bonds6

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

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 120732430) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID120732430
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCl.O=C(CCCc1nc(C2CC2)no1)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H23N5O2.ClH/c24-17(5-1-4-16-21-18(22-25-16)13-6-7-13)23-10-9-20-12-15(23)14-3-2-8-19-11-14;/h2-3,8,11,13,15,20H,1,4-7,9-10,12H2;1H
InChIKeyVVXDZIFIBFPOMF-UHFFFAOYSA-N
XLogP2.26
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-3-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 120730142
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120729445
4-(3,4-difluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120728910
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
1-(2-pyridin-3-ylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 120730031
4-(3-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731482
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
CID 126442115
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
5-(1,3-benzothiazol-2-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120731329
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride (CID 120732430) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride is Cl.O=C(CCCc1nc(C2CC2)no1)N1CCNCC1c1cccnc1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is VVXDZIFIBFPOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.ClH/c24-17(5-1-4-16-21-18(22-25-16)13-6-7-13)23-10-9-20-12-15(23)14-3-2-8-19-11-14;/h2-3,8,11,13,15,20H,1,4-7,9-10,12H2;1H.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120732430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).