6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane

C25H44Cl2N4O — CID 170584725

IUPAC6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane
SMILESC.CCN1CCN(c2cccc(Cl)c2Cl)CC1.NCCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C12H16Cl2N2.C12H24N2O.CH4/c1-2-15-6-8-16(9-7-15)11-5-3-4-10(13)12(11)14;13-10-6-2-5-9-12(15)14-11-7-3-1-4-8-11;/h3-5H,2,6-9H2,1H3;11H,1-10,13H2,(H,14,15);1H4
InChIKeyQBGFADNHTOYOIL-UHFFFAOYSA-N
MW487.56 g/mol
LogP5.73
Rot. Bonds8

About 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane

6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane (PubChem CID 170584725) has the molecular formula C25H44Cl2N4O and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane.

Molecular Properties

Compound Name6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane
PubChem CID170584725
Molecular FormulaC25H44Cl2N4O
Molecular Weight487.56 g/mol
Exact Mass486.29
IUPAC Name6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane
SMILESC.CCN1CCN(c2cccc(Cl)c2Cl)CC1.NCCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C12H16Cl2N2.C12H24N2O.CH4/c1-2-15-6-8-16(9-7-15)11-5-3-4-10(13)12(11)14;13-10-6-2-5-9-12(15)14-11-7-3-1-4-8-11;/h3-5H,2,6-9H2,1H3;11H,1-10,13H2,(H,14,15);1H4
InChIKeyQBGFADNHTOYOIL-UHFFFAOYSA-N
XLogP5.73
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
tert-butyl N-cyclohexylcarbamate;1-(2-chloro-3-ethylphenyl)-4-ethylpiperazine
CID 171492412
1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
CID 143598704
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
tert-butyl N-[4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 72736382
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane?
The IUPAC name of 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane (CID 170584725) is 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane.
What is the SMILES notation for 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane?
The canonical SMILES for 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane is C.CCN1CCN(c2cccc(Cl)c2Cl)CC1.NCCCCCC(=O)NC1CCCCC1.
What is the InChIKey of 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane?
The InChIKey is QBGFADNHTOYOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2.C12H24N2O.CH4/c1-2-15-6-8-16(9-7-15)11-5-3-4-10(13)12(11)14;13-10-6-2-5-9-12(15)14-11-7-3-1-4-8-11;/h3-5H,2,6-9H2,1H3;11H,1-10,13H2,(H,14,15);1H4.
What are the key properties of 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane?
6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane has a molecular weight of 487.56 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane is sourced from PubChem (CID 170584725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).