N,N-diethylpiperazine-1-carboxamide;hydrochloride

C9H20ClN3O — CID 18590490

IUPACN,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-3-11(4-2)9(13)12-7-5-10-6-8-12;/h10H,3-8H2,1-2H3;1H
InChIKeyWYKJQAACDAWZMJ-UHFFFAOYSA-N
MW221.73 g/mol
LogP0.78
Rot. Bonds2

About N,N-diethylpiperazine-1-carboxamide;hydrochloride

N,N-diethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 18590490) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is N,N-diethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethylpiperazine-1-carboxamide;hydrochloride
PubChem CID18590490
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC NameN,N-diethylpiperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-3-11(4-2)9(13)12-7-5-10-6-8-12;/h10H,3-8H2,1-2H3;1H
InChIKeyWYKJQAACDAWZMJ-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethylpiperazine-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of N,N-diethylpiperazine-1-carboxamide;hydrochloride (CID 18590490) is N,N-diethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethylpiperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCNCC1.Cl.
What is the InChIKey of N,N-diethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is WYKJQAACDAWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-3-11(4-2)9(13)12-7-5-10-6-8-12;/h10H,3-8H2,1-2H3;1H.
What are the key properties of N,N-diethylpiperazine-1-carboxamide;hydrochloride?
N,N-diethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 18590490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).