2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

C20H31N3O2 — CID 40696474

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-16-6-8-17(9-7-16)21-20(24)15-22-10-12-23(13-11-22)18-4-3-5-19(14-18)25-2/h3-5,14,16-17H,6-13,15H2,1-2H3,(H,21,24)
InChIKeySAXVXCSDLBCKJB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 40696474) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID40696474
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1
InChIInChI=1S/C20H31N3O2/c1-16-6-8-17(9-7-16)21-20(24)15-22-10-12-23(13-11-22)18-4-3-5-19(14-18)25-2/h3-5,14,16-17H,6-13,15H2,1-2H3,(H,21,24)
InChIKeySAXVXCSDLBCKJB-UHFFFAOYSA-N
XLogP2.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 133378895
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 40696474) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide is COc1cccc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is SAXVXCSDLBCKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-6-8-17(9-7-16)21-20(24)15-22-10-12-23(13-11-22)18-4-3-5-19(14-18)25-2/h3-5,14,16-17H,6-13,15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 40696474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).