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

C21H25N3O3 — CID 38828911

IUPACN-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-17-7-9-19(10-8-17)27-16-20(25)23-11-13-24(14-12-23)21(26)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,26)
InChIKeyAGNJYVUVVVRBLI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds5

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

N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide (PubChem CID 38828911) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
PubChem CID38828911
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-17-7-9-19(10-8-17)27-16-20(25)23-11-13-24(14-12-23)21(26)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,26)
InChIKeyAGNJYVUVVVRBLI-UHFFFAOYSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
CID 110365950
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
N-benzyl-4-[2-(2,5-dimethylphenyl)acetyl]piperazine-1-carboxamide
CID 110812883
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
2-methyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 110346414
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 87003706
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
CID 126426070
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 78877519

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide (CID 38828911) is N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide is Cc1ccc(OCC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide?
The InChIKey is AGNJYVUVVVRBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-17-7-9-19(10-8-17)27-16-20(25)23-11-13-24(14-12-23)21(26)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,26).
What are the key properties of N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide?
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 38828911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).