4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide

C22H35N3O — CID 10642101

IUPAC4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2CCCCC2)N2CCNCC2)cc1
InChIInChI=1S/C22H35N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h10-13,18,21,23H,3-9,14-17H2,1-2H3
InChIKeyGNWZLSOWHKZQEB-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.70
Rot. Bonds6

About 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide

4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide (PubChem CID 10642101) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide
PubChem CID10642101
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2CCCCC2)N2CCNCC2)cc1
InChIInChI=1S/C22H35N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h10-13,18,21,23H,3-9,14-17H2,1-2H3
InChIKeyGNWZLSOWHKZQEB-UHFFFAOYSA-N
XLogP3.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide (CID 10642101) is 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(C2CCCCC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide?
The InChIKey is GNWZLSOWHKZQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h10-13,18,21,23H,3-9,14-17H2,1-2H3.
What are the key properties of 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide?
4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide has a molecular weight of 357.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(piperazin-1-yl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10642101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).