N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide

C25H36N4O — CID 52543296

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H36N4O/c1-3-27(4-2)21-24-12-10-23(11-13-24)20-26-25(30)29-18-16-28(17-19-29)15-14-22-8-6-5-7-9-22/h5-13H,3-4,14-21H2,1-2H3,(H,26,30)
InChIKeyAFDZQVDOPKAZLX-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.60
Rot. Bonds9

About N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 52543296) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID52543296
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C25H36N4O/c1-3-27(4-2)21-24-12-10-23(11-13-24)20-26-25(30)29-18-16-28(17-19-29)15-14-22-8-6-5-7-9-22/h5-13H,3-4,14-21H2,1-2H3,(H,26,30)
InChIKeyAFDZQVDOPKAZLX-UHFFFAOYSA-N
XLogP3.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 17495098
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 17490101
N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
CID 119073232
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034556
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (CID 52543296) is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is CCN(CC)Cc1ccc(CNC(=O)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is AFDZQVDOPKAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-3-27(4-2)21-24-12-10-23(11-13-24)20-26-25(30)29-18-16-28(17-19-29)15-14-22-8-6-5-7-9-22/h5-13H,3-4,14-21H2,1-2H3,(H,26,30).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 52543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).