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

C20H29N5O2S — CID 60500576

IUPACN-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(Cc2nc(-c3ccsc3)no2)CC1)C1CCCCC1
InChIInChI=1S/C20H29N5O2S/c1-23(17-5-3-2-4-6-17)19(26)14-25-10-8-24(9-11-25)13-18-21-20(22-27-18)16-7-12-28-15-16/h7,12,15,17H,2-6,8-11,13-14H2,1H3
InChIKeyAYWIXGVYCIMOQN-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.71
Rot. Bonds6

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

N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 60500576) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID60500576
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC NameN-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(Cc2nc(-c3ccsc3)no2)CC1)C1CCCCC1
InChIInChI=1S/C20H29N5O2S/c1-23(17-5-3-2-4-6-17)19(26)14-25-10-8-24(9-11-25)13-18-21-20(22-27-18)16-7-12-28-15-16/h7,12,15,17H,2-6,8-11,13-14H2,1H3
InChIKeyAYWIXGVYCIMOQN-UHFFFAOYSA-N
XLogP2.71
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 94176772
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
N,N-dimethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 71943818
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
1-[(2R)-2-[(2S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95319673
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
methyl (2R)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxylate
CID 79835245
N-cyclohexyl-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928927
2-chloro-N-cyclohexyl-N-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 55917418
(3aS,6aR)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680489

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 60500576) is N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CN(C(=O)CN1CCN(Cc2nc(-c3ccsc3)no2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is AYWIXGVYCIMOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-23(17-5-3-2-4-6-17)19(26)14-25-10-8-24(9-11-25)13-18-21-20(22-27-18)16-7-12-28-15-16/h7,12,15,17H,2-6,8-11,13-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 403.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60500576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).