2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide

C30H42FN3O3 — CID 11756115

IUPAC2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(F)ccc1N1CCN(CCC(c2ccccc2C(=O)N(C)C)C(O)C2CCCCC2)CC1
InChIInChI=1S/C30H42FN3O3/c1-32(2)30(36)26-12-8-7-11-24(26)25(29(35)22-9-5-4-6-10-22)15-16-33-17-19-34(20-18-33)27-14-13-23(31)21-28(27)37-3/h7-8,11-14,21-22,25,29,35H,4-6,9-10,15-20H2,1-3H3
InChIKeyYPBVJEAXXDIIMV-UHFFFAOYSA-N
MW511.68 g/mol
LogP4.77
Rot. Bonds9

About 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide

2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide (PubChem CID 11756115) has the molecular formula C30H42FN3O3 and a molecular weight of 511.68 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide
PubChem CID11756115
Molecular FormulaC30H42FN3O3
Molecular Weight511.68 g/mol
Exact Mass511.32
IUPAC Name2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(F)ccc1N1CCN(CCC(c2ccccc2C(=O)N(C)C)C(O)C2CCCCC2)CC1
InChIInChI=1S/C30H42FN3O3/c1-32(2)30(36)26-12-8-7-11-24(26)25(29(35)22-9-5-4-6-10-22)15-16-33-17-19-34(20-18-33)27-14-13-23(31)21-28(27)37-3/h7-8,11-14,21-22,25,29,35H,4-6,9-10,15-20H2,1-3H3
InChIKeyYPBVJEAXXDIIMV-UHFFFAOYSA-N
XLogP4.77
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide (CID 11756115) is 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide is COc1cc(F)ccc1N1CCN(CCC(c2ccccc2C(=O)N(C)C)C(O)C2CCCCC2)CC1.
What is the InChIKey of 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide?
The InChIKey is YPBVJEAXXDIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN3O3/c1-32(2)30(36)26-12-8-7-11-24(26)25(29(35)22-9-5-4-6-10-22)15-16-33-17-19-34(20-18-33)27-14-13-23(31)21-28(27)37-3/h7-8,11-14,21-22,25,29,35H,4-6,9-10,15-20H2,1-3H3.
What are the key properties of 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide?
2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide has a molecular weight of 511.68 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 11756115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).