4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one

C18H32N4O2 — CID 56787330

IUPAC4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(C)c2nnc(CC(C)C)o2)CC1
InChIInChI=1S/C18H32N4O2/c1-13(2)6-7-17(23)22-10-8-21(9-11-22)15(5)18-20-19-16(24-18)12-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyDDOTYYGZOTUGJR-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.91
Rot. Bonds7

About 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one

4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one (PubChem CID 56787330) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one
PubChem CID56787330
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(C)c2nnc(CC(C)C)o2)CC1
InChIInChI=1S/C18H32N4O2/c1-13(2)6-7-17(23)22-10-8-21(9-11-22)15(5)18-20-19-16(24-18)12-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyDDOTYYGZOTUGJR-UHFFFAOYSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one 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

1-[4-[1-[5-(2-Methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]ethanone
CID 53588176
1-[4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone
CID 53588210
1-[2-[1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 53604267
1-[2-[1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 53609635
2-Cyclopropyl-5-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53619904
Cyclopropyl-[2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 72043179
1-cyclopentyl-N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72935094
N,8-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56905488
1'-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 70771703
1-(cyclopentylcarbonyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-piperidinecarboxamide
CID 72898698
(62S,4S,9S,15S)-2-ethyl-9-isobutyl-4,15-dimethyl-3,8,11,14-tetraaza-1(2,5)-oxadiazola-6(1,2)-pyrrolidinacyclopentadecaphane-5,7,10,13-tetraone
CID 122164897
(62S,9S,15S)-2-ethyl-9-isobutyl-15-methyl-3,8,11,14-tetraaza-1(2,5)-oxadiazola-6(1,2)-pyrrolidinacyclopentadecaphane-5,7,10,13-tetraone
CID 122164915

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one (CID 56787330) is 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCN(C(C)c2nnc(CC(C)C)o2)CC1.
What is the InChIKey of 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one?
The InChIKey is DDOTYYGZOTUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)6-7-17(23)22-10-8-21(9-11-22)15(5)18-20-19-16(24-18)12-14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one?
4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one has a molecular weight of 336.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 56787330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).