N,4-dibenzylpiperazine-1-carboxamide;ethane

C25H41N3O — CID 91343107

IUPACN,4-dibenzylpiperazine-1-carboxamide;ethane
SMILESCC.CC.CC.O=C(NCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O.3C2H6/c23-19(20-15-17-7-3-1-4-8-17)22-13-11-21(12-14-22)16-18-9-5-2-6-10-18;3*1-2/h1-10H,11-16H2,(H,20,23);3*1-2H3
InChIKeyWTHSKAYIMDMOPJ-UHFFFAOYSA-N
MW399.62 g/mol
LogP5.79
Rot. Bonds4

About N,4-dibenzylpiperazine-1-carboxamide;ethane

N,4-dibenzylpiperazine-1-carboxamide;ethane (PubChem CID 91343107) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is N,4-dibenzylpiperazine-1-carboxamide;ethane.

Molecular Properties

Compound NameN,4-dibenzylpiperazine-1-carboxamide;ethane
PubChem CID91343107
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC NameN,4-dibenzylpiperazine-1-carboxamide;ethane
SMILESCC.CC.CC.O=C(NCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O.3C2H6/c23-19(20-15-17-7-3-1-4-8-17)22-13-11-21(12-14-22)16-18-9-5-2-6-10-18;3*1-2/h1-10H,11-16H2,(H,20,23);3*1-2H3
InChIKeyWTHSKAYIMDMOPJ-UHFFFAOYSA-N
XLogP5.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 176672860
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of N,4-dibenzylpiperazine-1-carboxamide;ethane?
The IUPAC name of N,4-dibenzylpiperazine-1-carboxamide;ethane (CID 91343107) is N,4-dibenzylpiperazine-1-carboxamide;ethane.
What is the SMILES notation for N,4-dibenzylpiperazine-1-carboxamide;ethane?
The canonical SMILES for N,4-dibenzylpiperazine-1-carboxamide;ethane is CC.CC.CC.O=C(NCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N,4-dibenzylpiperazine-1-carboxamide;ethane?
The InChIKey is WTHSKAYIMDMOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.3C2H6/c23-19(20-15-17-7-3-1-4-8-17)22-13-11-21(12-14-22)16-18-9-5-2-6-10-18;3*1-2/h1-10H,11-16H2,(H,20,23);3*1-2H3.
What are the key properties of N,4-dibenzylpiperazine-1-carboxamide;ethane?
N,4-dibenzylpiperazine-1-carboxamide;ethane has a molecular weight of 399.62 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibenzylpiperazine-1-carboxamide;ethane is sourced from PubChem (CID 91343107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).