2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione

C19H37N5O3 — CID 91473668

IUPAC2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione
SMILESCCN(CC)C(=O)CN.CCN1CC(=O)N(CCC2CCNCC2)CC1=O
InChIInChI=1S/C13H23N3O2.C6H14N2O/c1-2-15-9-13(18)16(10-12(15)17)8-5-11-3-6-14-7-4-11;1-3-8(4-2)6(9)5-7/h11,14H,2-10H2,1H3;3-5,7H2,1-2H3
InChIKeyYJQGQQULDZUBIY-UHFFFAOYSA-N
MW383.54 g/mol
LogP-0.12
Rot. Bonds7

About 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione

2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione (PubChem CID 91473668) has the molecular formula C19H37N5O3 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione
PubChem CID91473668
Molecular FormulaC19H37N5O3
Molecular Weight383.54 g/mol
Exact Mass383.29
IUPAC Name2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione
SMILESCCN(CC)C(=O)CN.CCN1CC(=O)N(CCC2CCNCC2)CC1=O
InChIInChI=1S/C13H23N3O2.C6H14N2O/c1-2-15-9-13(18)16(10-12(15)17)8-5-11-3-6-14-7-4-11;1-3-8(4-2)6(9)5-7/h11,14H,2-10H2,1H3;3-5,7H2,1-2H3
InChIKeyYJQGQQULDZUBIY-UHFFFAOYSA-N
XLogP-0.12
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione (CID 91473668) is 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione is CCN(CC)C(=O)CN.CCN1CC(=O)N(CCC2CCNCC2)CC1=O.
What is the InChIKey of 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is YJQGQQULDZUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.C6H14N2O/c1-2-15-9-13(18)16(10-12(15)17)8-5-11-3-6-14-7-4-11;1-3-8(4-2)6(9)5-7/h11,14H,2-10H2,1H3;3-5,7H2,1-2H3.
What are the key properties of 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione?
2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 383.54 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethylacetamide;1-ethyl-4-(2-piperidin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 91473668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).