(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone

C24H34N6O2 — CID 53166142

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
SMILESCc1nc(-c2cccnc2N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)no1
InChIInChI=1S/C24H34N6O2/c1-18-26-22(27-32-18)21-8-5-11-25-23(21)29-12-9-19(10-13-29)24(31)30-16-14-28(15-17-30)20-6-3-2-4-7-20/h5,8,11,19-20H,2-4,6-7,9-10,12-17H2,1H3
InChIKeyWNGPSGVYBYRBNX-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.13
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone (PubChem CID 53166142) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
PubChem CID53166142
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
SMILESCc1nc(-c2cccnc2N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)no1
InChIInChI=1S/C24H34N6O2/c1-18-26-22(27-32-18)21-8-5-11-25-23(21)29-12-9-19(10-13-29)24(31)30-16-14-28(15-17-30)20-6-3-2-4-7-20/h5,8,11,19-20H,2-4,6-7,9-10,12-17H2,1H3
InChIKeyWNGPSGVYBYRBNX-UHFFFAOYSA-N
XLogP3.13
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 53365334
N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166127
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129
azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 53166187
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166137
N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166155
[1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 71825179
[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 95101116
N-cyclohexyl-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135843

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone (CID 53166142) is (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone is Cc1nc(-c2cccnc2N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)no1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is WNGPSGVYBYRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-18-26-22(27-32-18)21-8-5-11-25-23(21)29-12-9-19(10-13-29)24(31)30-16-14-28(15-17-30)20-6-3-2-4-7-20/h5,8,11,19-20H,2-4,6-7,9-10,12-17H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 438.58 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 53166142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).