N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide

C21H34N4O3+2 — CID 9259448

IUPACN-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](CCOc2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C21H32N4O3/c26-20(23-21(27)22-18-7-3-1-4-8-18)17-25-13-11-24(12-14-25)15-16-28-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H2,22,23,26,27)/p+2
InChIKeyCIRHUHXXWLTWEU-UHFFFAOYSA-P
MW390.53 g/mol
LogP-0.99
Rot. Bonds7

About N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide

N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9259448) has the molecular formula C21H34N4O3+2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID9259448
Molecular FormulaC21H34N4O3+2
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](CCOc2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C21H32N4O3/c26-20(23-21(27)22-18-7-3-1-4-8-18)17-25-13-11-24(12-14-25)15-16-28-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H2,22,23,26,27)/p+2
InChIKeyCIRHUHXXWLTWEU-UHFFFAOYSA-P
XLogP-0.99
TPSA76.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655453
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2573315
N-naphthalen-2-yl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259816
N-(2-ethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773213
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259409
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
phenyl N-cyclooctylcarbamate
CID 60636968
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437
2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 9259831
N-(2-benzylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259983
N-(cyclohexylcarbamoyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8719636
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259105

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide (CID 9259448) is N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide is O=C(C[NH+]1CC[NH+](CCOc2ccccc2)CC1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is CIRHUHXXWLTWEU-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H32N4O3/c26-20(23-21(27)22-18-7-3-1-4-8-18)17-25-13-11-24(12-14-25)15-16-28-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H2,22,23,26,27)/p+2.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 390.53 g/mol, XLogP of -0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9259448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).