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

C19H30N3O2+ — CID 8528568

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-6-8-16(9-7-15)20-19(24)14-21-10-12-22(13-11-21)17-4-2-3-5-18(17)23/h2-5,15-16,23H,6-14H2,1H3,(H,20,24)/p+1
InChIKeyPRTAIRUHRSONNM-UHFFFAOYSA-O
MW332.47 g/mol
LogP0.79
Rot. Bonds4

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

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 8528568) has the molecular formula C19H30N3O2+ and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID8528568
Molecular FormulaC19H30N3O2+
Molecular Weight332.47 g/mol
Exact Mass332.23
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-6-8-16(9-7-15)20-19(24)14-21-10-12-22(13-11-21)17-4-2-3-5-18(17)23/h2-5,15-16,23H,6-14H2,1H3,(H,20,24)/p+1
InChIKeyPRTAIRUHRSONNM-UHFFFAOYSA-O
XLogP0.79
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8704491
N-(cyclopropylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528975
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 11929223
N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547670
N-[(2S)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529545
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
CID 8529566
N-[(2R)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529542
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8528487
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9346548
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528792
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2573315
4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 2697707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 8528568) is 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is PRTAIRUHRSONNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O2/c1-15-6-8-16(9-7-15)20-19(24)14-21-10-12-22(13-11-21)17-4-2-3-5-18(17)23/h2-5,15-16,23H,6-14H2,1H3,(H,20,24)/p+1.
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 8528568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).