4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C16H23N3O3 — CID 87003706

IUPAC4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NCc2cccc(C)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-13-4-3-5-14(10-13)11-17-16(21)19-8-6-18(7-9-19)15(20)12-22-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,17,21)
InChIKeyMIKLOFFPASGXKY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.00
Rot. Bonds4

About 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 87003706) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID87003706
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NCc2cccc(C)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-13-4-3-5-14(10-13)11-17-16(21)19-8-6-18(7-9-19)15(20)12-22-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,17,21)
InChIKeyMIKLOFFPASGXKY-UHFFFAOYSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857
N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
N-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 119060918
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 87003706) is 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is COCC(=O)N1CCN(C(=O)NCc2cccc(C)c2)CC1.
What is the InChIKey of 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is MIKLOFFPASGXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13-4-3-5-14(10-13)11-17-16(21)19-8-6-18(7-9-19)15(20)12-22-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,17,21).
What are the key properties of 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 87003706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).