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

C21H33N3O2 — CID 39746892

IUPACN-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN(CCOc3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-18-7-9-19(10-8-18)22-21(25)17-24-13-11-23(12-14-24)15-16-26-20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3,(H,22,25)
InChIKeyXTMWDIVDQHEIBU-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.38
Rot. Bonds7

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

N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 39746892) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID39746892
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCC1CCC(NC(=O)CN2CCN(CCOc3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-18-7-9-19(10-8-18)22-21(25)17-24-13-11-23(12-14-24)15-16-26-20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3,(H,22,25)
InChIKeyXTMWDIVDQHEIBU-UHFFFAOYSA-N
XLogP2.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 40696474
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
N-cyclopropyl-2-[4-[3-(2-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 51095932
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78871439
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 39746892) is N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is CC1CCC(NC(=O)CN2CCN(CCOc3ccccc3)CC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is XTMWDIVDQHEIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18-7-9-19(10-8-18)22-21(25)17-24-13-11-23(12-14-24)15-16-26-20-5-3-2-4-6-20/h2-6,18-19H,7-17H2,1H3,(H,22,25).
What are the key properties of N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 39746892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).