4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide

C13H26N4O2 — CID 55104467

IUPAC4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C13H26N4O2/c1-4-15(5-2)13(19)17-8-6-16(7-9-17)12(18)11(3)10-14/h11H,4-10,14H2,1-3H3
InChIKeyLYWCALVSTZIFKK-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.19
Rot. Bonds4

About 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide

4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 55104467) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID55104467
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)CN)CC1
InChIInChI=1S/C13H26N4O2/c1-4-15(5-2)13(19)17-8-6-16(7-9-17)12(18)11(3)10-14/h11H,4-10,14H2,1-3H3
InChIKeyLYWCALVSTZIFKK-UHFFFAOYSA-N
XLogP0.19
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-2-methoxypropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 106112145
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 62670367
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
4-(2-bromobutanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 62855786
4-(2,4-diamino-4-oxobutanoyl)-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119956526
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153561
N,N-diethyl-4-[2-(methanesulfonamido)propanoyl]piperazine-1-carboxamide
CID 47924801
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
4-(1-amino-1-sulfanylidenepentan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79162161
N,N-diethyl-4-propan-2-ylsulfonylpiperazine-1-carboxamide
CID 61356858

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide (CID 55104467) is 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(C)CN)CC1.
What is the InChIKey of 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is LYWCALVSTZIFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-15(5-2)13(19)17-8-6-16(7-9-17)12(18)11(3)10-14/h11H,4-10,14H2,1-3H3.
What are the key properties of 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 55104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).