N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide

C27H37N3O — CID 126539533

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCCC1)c1ccccc1
InChIInChI=1S/C27H37N3O/c1-2-26(31)30(25-14-8-4-9-15-25)23-27(16-10-5-11-17-27)29-20-18-28(19-21-29)22-24-12-6-3-7-13-24/h3-4,6-9,12-15H,2,5,10-11,16-23H2,1H3
InChIKeyWFAJJUAIPMLRAE-UHFFFAOYSA-N
MW419.61 g/mol
LogP4.95
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide (PubChem CID 126539533) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide
PubChem CID126539533
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCCC1)c1ccccc1
InChIInChI=1S/C27H37N3O/c1-2-26(31)30(25-14-8-4-9-15-25)23-27(16-10-5-11-17-27)29-20-18-28(19-21-29)22-24-12-6-3-7-13-24/h3-4,6-9,12-15H,2,5,10-11,16-23H2,1H3
InChIKeyWFAJJUAIPMLRAE-UHFFFAOYSA-N
XLogP4.95
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide (CID 126539533) is N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide?
The InChIKey is WFAJJUAIPMLRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-2-26(31)30(25-14-8-4-9-15-25)23-27(16-10-5-11-17-27)29-20-18-28(19-21-29)22-24-12-6-3-7-13-24/h3-4,6-9,12-15H,2,5,10-11,16-23H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide has a molecular weight of 419.61 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclohexyl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 126539533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).