2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide

C19H29ClN3O+ — CID 7417962

IUPAC2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H28ClN3O/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3/p+1
InChIKeyBUARSMDBPFXAFG-UHFFFAOYSA-O
MW350.91 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 7417962) has the molecular formula C19H29ClN3O+ and a molecular weight of 350.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID7417962
Molecular FormulaC19H29ClN3O+
Molecular Weight350.91 g/mol
Exact Mass350.20
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H28ClN3O/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3/p+1
InChIKeyBUARSMDBPFXAFG-UHFFFAOYSA-O
XLogP1.84
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.91
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
CID 8690599
1-(3-chlorophenyl)-4-(cyclohexylmethyl)piperazin-4-ium
CID 6938406
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8529946
4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 46566639
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 8530475
1-(3-chlorophenyl)azonane
CID 145391535
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8529693
N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8530398
1-(3-chlorophenyl)-N-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46584097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide (CID 7417962) is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is BUARSMDBPFXAFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28ClN3O/c1-21(17-7-3-2-4-8-17)19(24)15-22-10-12-23(13-11-22)18-9-5-6-16(20)14-18/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3/p+1.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 350.91 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 7417962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).