N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide

C₁₃H₂₇N₃O — CID 82243819

About N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide

N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide (PubChem CID 82243819) has the molecular formula C₁₃H₂₇N₃O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide
• PubChem CID: 82243819
• Molecular Formula: C₁₃H₂₇N₃O
• Molecular Weight: 241.38 g/mol
• Exact Mass: 241.22
• IUPAC Name: N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide
• SMILES: CCN(CC)C(=O)N1CC(C(C)C)NCC1C
• InChI: InChI=1S/C13H27N3O/c1-6-15(7-2)13(17)16-9-12(10(3)4)14-8-11(16)5/h10-12,14H,6-9H2,1-5H3
• InChIKey: WTHUQALXIURMQO-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.38
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?

The IUPAC name of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide (CID 82243819) is N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide.

What is the SMILES notation for N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?

The canonical SMILES for N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CC(C(C)C)NCC1C.

What is the InChIKey of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?

The InChIKey is WTHUQALXIURMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-15(7-2)13(17)16-9-12(10(3)4)14-8-11(16)5/h10-12,14H,6-9H2,1-5H3.

What are the key properties of N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide?

N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-methyl-5-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 82243819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82243819 — identifiers, structure, computed properties (public domain)

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