1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one

C15H26N4O2 — CID 120572504

IUPAC1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCNC(C)C2C)n1
InChIInChI=1S/C15H26N4O2/c1-4-6-13-17-14(21-18-13)7-5-8-15(20)19-10-9-16-11(2)12(19)3/h11-12,16H,4-10H2,1-3H3
InChIKeyGOKOVNMQZMXZLV-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.55
Rot. Bonds6

About 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one

1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 120572504) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID120572504
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCNC(C)C2C)n1
InChIInChI=1S/C15H26N4O2/c1-4-6-13-17-14(21-18-13)7-5-8-15(20)19-10-9-16-11(2)12(19)3/h11-12,16H,4-10H2,1-3H3
InChIKeyGOKOVNMQZMXZLV-UHFFFAOYSA-N
XLogP1.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 95584930
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120733903
1-(2,3-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 120571813
1-(2,3-dimethylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 120572312
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120571495
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955
N-[1-[5-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide;hydrochloride
CID 120571096
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572031
3-amino-N-[[1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579941
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 66262063
1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126783193

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 120572504) is 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one is CCCc1noc(CCCC(=O)N2CCNC(C)C2C)n1.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is GOKOVNMQZMXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-6-13-17-14(21-18-13)7-5-8-15(20)19-10-9-16-11(2)12(19)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 294.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 120572504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).