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

C19H29ClN3O+ — CID 8704491

IUPAC2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15-6-8-16(9-7-15)21-19(24)14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-5,15-16H,6-14H2,1H3,(H,21,24)/p+1
InChIKeyAQNWGRGHZYZQDY-UHFFFAOYSA-O
MW350.91 g/mol
LogP1.74
Rot. Bonds4

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

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 8704491) has the molecular formula C19H29ClN3O+ and a molecular weight of 350.91 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID8704491
Molecular FormulaC19H29ClN3O+
Molecular Weight350.91 g/mol
Exact Mass350.20
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15-6-8-16(9-7-15)21-19(24)14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-5,15-16H,6-14H2,1H3,(H,21,24)/p+1
InChIKeyAQNWGRGHZYZQDY-UHFFFAOYSA-O
XLogP1.74
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.91
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8528568
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2573315
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122916
N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547670
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
N-(cyclopropylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528975
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346720
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8704659
2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8704572
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9028533
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8528325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 8704491) is 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3Cl)CC2)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is AQNWGRGHZYZQDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28ClN3O/c1-15-6-8-16(9-7-15)21-19(24)14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-5,15-16H,6-14H2,1H3,(H,21,24)/p+1.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 350.91 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 8704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).