4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide

C14H28N4O2 — CID 91659884

IUPAC4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCC(CC)(CN)C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-5-14(6-2,11-15)12(19)17-7-9-18(10-8-17)13(20)16(3)4/h5-11,15H2,1-4H3
InChIKeyLLBFPTWYRNVZPE-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.58
Rot. Bonds4

About 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 91659884) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID91659884
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCC(CC)(CN)C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-5-14(6-2,11-15)12(19)17-7-9-18(10-8-17)13(20)16(3)4/h5-11,15H2,1-4H3
InChIKeyLLBFPTWYRNVZPE-UHFFFAOYSA-N
XLogP0.58
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 91659884) is 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide is CCC(CC)(CN)C(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is LLBFPTWYRNVZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-14(6-2,11-15)12(19)17-7-9-18(10-8-17)13(20)16(3)4/h5-11,15H2,1-4H3.
What are the key properties of 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 91659884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).