4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide

C24H38ClN3O2 — CID 91468660

IUPAC4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
SMILESCOC(CCC(N)=O)C1CCC(CCN2CCN(c3cccc(Cl)c3C)CC2)CC1
InChIInChI=1S/C24H38ClN3O2/c1-18-21(25)4-3-5-22(18)28-16-14-27(15-17-28)13-12-19-6-8-20(9-7-19)23(30-2)10-11-24(26)29/h3-5,19-20,23H,6-17H2,1-2H3,(H2,26,29)
InChIKeyWTBQYQXUPFRSLR-UHFFFAOYSA-N
MW436.04 g/mol
LogP4.25
Rot. Bonds9

About 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide

4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide (PubChem CID 91468660) has the molecular formula C24H38ClN3O2 and a molecular weight of 436.04 g/mol. Its IUPAC name is 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide.

Molecular Properties

Compound Name4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
PubChem CID91468660
Molecular FormulaC24H38ClN3O2
Molecular Weight436.04 g/mol
Exact Mass435.27
IUPAC Name4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
SMILESCOC(CCC(N)=O)C1CCC(CCN2CCN(c3cccc(Cl)c3C)CC2)CC1
InChIInChI=1S/C24H38ClN3O2/c1-18-21(25)4-3-5-22(18)28-16-14-27(15-17-28)13-12-19-6-8-20(9-7-19)23(30-2)10-11-24(26)29/h3-5,19-20,23H,6-17H2,1-2H3,(H2,26,29)
InChIKeyWTBQYQXUPFRSLR-UHFFFAOYSA-N
XLogP4.25
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.04
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
CID 91108973
4-amino-4-[4-[2-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-oxobutanenitrile
CID 143598611
5-[[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-5-hydroxypentanenitrile
CID 143598737
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 91366186
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90939048
2-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-N,N-dimethylacetamide;hydrochloride
CID 158018409
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
The IUPAC name of 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide (CID 91468660) is 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide.
What is the SMILES notation for 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
The canonical SMILES for 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide is COC(CCC(N)=O)C1CCC(CCN2CCN(c3cccc(Cl)c3C)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
The InChIKey is WTBQYQXUPFRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38ClN3O2/c1-18-21(25)4-3-5-22(18)28-16-14-27(15-17-28)13-12-19-6-8-20(9-7-19)23(30-2)10-11-24(26)29/h3-5,19-20,23H,6-17H2,1-2H3,(H2,26,29).
What are the key properties of 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide has a molecular weight of 436.04 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide is sourced from PubChem (CID 91468660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).