N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide

C13H28N4O — CID 515600

IUPACN-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCCN(CC)CCN(C)C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-5-16(6-2)10-9-15(4)13(18)17-11-7-14(3)8-12-17/h5-12H2,1-4H3
InChIKeyHOKNYJLFVBZSSP-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.63
Rot. Bonds5

About N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide

N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide (PubChem CID 515600) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide
PubChem CID515600
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCCN(CC)CCN(C)C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-5-16(6-2)10-9-15(4)13(18)17-11-7-14(3)8-12-17/h5-12H2,1-4H3
InChIKeyHOKNYJLFVBZSSP-UHFFFAOYSA-N
XLogP0.63
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide (CID 515600) is N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide is CCN(CC)CCN(C)C(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
The InChIKey is HOKNYJLFVBZSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-16(6-2)10-9-15(4)13(18)17-11-7-14(3)8-12-17/h5-12H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 515600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).