N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide

C21H27N3O2 — CID 110638269

IUPACN-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1ccccc1OCCN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-18-7-5-6-10-20(18)26-16-15-23-11-13-24(14-12-23)21(25)22-17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyXUTQIKBDWKNOIH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide

N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 110638269) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID110638269
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1ccccc1OCCN1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-18-7-5-6-10-20(18)26-16-15-23-11-13-24(14-12-23)21(25)22-17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyXUTQIKBDWKNOIH-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
CID 119073232
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
1-methyl-4-[2-[2-(2-methylphenoxy)ethoxy]ethyl]piperazine;oxalic acid
CID 2888787
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112969792
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide (CID 110638269) is N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide is Cc1ccccc1OCCN1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is XUTQIKBDWKNOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-18-7-5-6-10-20(18)26-16-15-23-11-13-24(14-12-23)21(25)22-17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide?
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110638269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).