N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide

C21H29N5O2 — CID 133482888

IUPACN-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2noc(-c3ccccc3)n2)CC1)C1CCCCC1
InChIInChI=1S/C21H29N5O2/c1-24(18-10-6-3-7-11-18)19(27)16-25-12-14-26(15-13-25)21-22-20(28-23-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3
InChIKeyVBXBHPVHGZBKHV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.65
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide (PubChem CID 133482888) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
PubChem CID133482888
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(c2noc(-c3ccccc3)n2)CC1)C1CCCCC1
InChIInChI=1S/C21H29N5O2/c1-24(18-10-6-3-7-11-18)19(27)16-25-12-14-26(15-13-25)21-22-20(28-23-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3
InChIKeyVBXBHPVHGZBKHV-UHFFFAOYSA-N
XLogP2.65
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 60500576
N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 78897300
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95158985
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide (CID 133482888) is N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(c2noc(-c3ccccc3)n2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide?
The InChIKey is VBXBHPVHGZBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-24(18-10-6-3-7-11-18)19(27)16-25-12-14-26(15-13-25)21-22-20(28-23-21)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133482888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).