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

C19H29N3O3 — CID 56825527

IUPAC4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-15-5-7-16(8-6-15)19(2,3)14-20-18(24)22-11-9-21(10-12-22)17(23)13-25-4/h5-8H,9-14H2,1-4H3,(H,20,24)
InChIKeyACUQUOZJFWNOST-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.77
Rot. Bonds5

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

4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide (PubChem CID 56825527) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
PubChem CID56825527
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-15-5-7-16(8-6-15)19(2,3)14-20-18(24)22-11-9-21(10-12-22)17(23)13-25-4/h5-8H,9-14H2,1-4H3,(H,20,24)
InChIKeyACUQUOZJFWNOST-UHFFFAOYSA-N
XLogP1.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide (CID 56825527) is 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide is COCC(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is ACUQUOZJFWNOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-5-7-16(8-6-15)19(2,3)14-20-18(24)22-11-9-21(10-12-22)17(23)13-25-4/h5-8H,9-14H2,1-4H3,(H,20,24).
What are the key properties of 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 56825527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).