4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide

C15H28N4O2 — CID 79844053

IUPAC4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CC2(N)CCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-3-17(4-2)14(21)19-10-8-18(9-11-19)13(20)12-15(16)6-5-7-15/h3-12,16H2,1-2H3
InChIKeyAAKMHDQSRHPAFZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.86
Rot. Bonds4

About 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide

4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 79844053) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID79844053
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)CC2(N)CCC2)CC1
InChIInChI=1S/C15H28N4O2/c1-3-17(4-2)14(21)19-10-8-18(9-11-19)13(20)12-15(16)6-5-7-15/h3-12,16H2,1-2H3
InChIKeyAAKMHDQSRHPAFZ-UHFFFAOYSA-N
XLogP0.86
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide (CID 79844053) is 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)CC2(N)CCC2)CC1.
What is the InChIKey of 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is AAKMHDQSRHPAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-17(4-2)14(21)19-10-8-18(9-11-19)13(20)12-15(16)6-5-7-15/h3-12,16H2,1-2H3.
What are the key properties of 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclobutyl)acetyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 79844053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).