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

C18H31N5O2 — CID 95158985

IUPACN-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1noc([C@H](C)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-14(18-19-15(2)20-25-18)23-11-9-22(10-12-23)13-17(24)21(3)16-7-5-4-6-8-16/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyWXNDNYZPOARYRD-AWEZNQCLSA-N
MW349.48 g/mol
LogP1.85
Rot. Bonds5

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

N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 95158985) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID95158985
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1noc([C@H](C)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-14(18-19-15(2)20-25-18)23-11-9-22(10-12-23)13-17(24)21(3)16-7-5-4-6-8-16/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyWXNDNYZPOARYRD-AWEZNQCLSA-N
XLogP1.85
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
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-2-[4-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperazin-1-yl]-N-methylacetamide
CID 129401911
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 51877805
2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
3-methyl-5-[(1R)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156815
2-[4-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 97089534
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide (CID 95158985) is N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide is Cc1noc([C@H](C)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is WXNDNYZPOARYRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14(18-19-15(2)20-25-18)23-11-9-22(10-12-23)13-17(24)21(3)16-7-5-4-6-8-16/h14,16H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.85, 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-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95158985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).