N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide

C27H37N3O — CID 44768892

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide
SMILESCN1CCN(C2(CNC(=O)C(C)(c3ccccc3)c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C27H37N3O/c1-26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25(31)28-22-27(16-10-5-11-17-27)30-20-18-29(2)19-21-30/h3-4,6-9,12-15H,5,10-11,16-22H2,1-2H3,(H,28,31)
InChIKeyRJCRLPBABAXZQO-UHFFFAOYSA-N
MW419.61 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide

N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide (PubChem CID 44768892) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide
PubChem CID44768892
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide
SMILESCN1CCN(C2(CNC(=O)C(C)(c3ccccc3)c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C27H37N3O/c1-26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25(31)28-22-27(16-10-5-11-17-27)30-20-18-29(2)19-21-30/h3-4,6-9,12-15H,5,10-11,16-22H2,1-2H3,(H,28,31)
InChIKeyRJCRLPBABAXZQO-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide (CID 44768892) is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide is CN1CCN(C2(CNC(=O)C(C)(c3ccccc3)c3ccccc3)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide?
The InChIKey is RJCRLPBABAXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-26(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25(31)28-22-27(16-10-5-11-17-27)30-20-18-29(2)19-21-30/h3-4,6-9,12-15H,5,10-11,16-22H2,1-2H3,(H,28,31).
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide?
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide has a molecular weight of 419.61 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-2,2-diphenylpropanamide is sourced from PubChem (CID 44768892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).