1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

C20H33N5O2 — CID 72941264

IUPAC1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCN1CCN(Cc2noc(C3CCC(=O)N(CC4CCCCC4)C3)n2)CC1
InChIInChI=1S/C20H33N5O2/c1-23-9-11-24(12-10-23)15-18-21-20(27-22-18)17-7-8-19(26)25(14-17)13-16-5-3-2-4-6-16/h16-17H,2-15H2,1H3
InChIKeyYEVRPOOXOHPXRB-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.10
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one

1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 72941264) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID72941264
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCN1CCN(Cc2noc(C3CCC(=O)N(CC4CCCCC4)C3)n2)CC1
InChIInChI=1S/C20H33N5O2/c1-23-9-11-24(12-10-23)15-18-21-20(27-22-18)17-7-8-19(26)25(14-17)13-16-5-3-2-4-6-16/h16-17H,2-15H2,1H3
InChIKeyYEVRPOOXOHPXRB-UHFFFAOYSA-N
XLogP2.10
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-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

(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97157056
(5R)-1-[(4-chlorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97133541
(5R)-1-[(2-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97118378
(5S)-1-cyclopropyl-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97143936
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
CID 97146889
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
(5S)-5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(cyclopropylmethyl)azepan-2-one
CID 95196636
1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455337
1-(cyclopentylmethyl)-5-[5-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 167938312

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 72941264) is 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is CN1CCN(Cc2noc(C3CCC(=O)N(CC4CCCCC4)C3)n2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is YEVRPOOXOHPXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-23-9-11-24(12-10-23)15-18-21-20(27-22-18)17-7-8-19(26)25(14-17)13-16-5-3-2-4-6-16/h16-17H,2-15H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one?
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 72941264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).