N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride

C9H22ClN3O — CID 43842039

IUPACN,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
SMILESCCN(CC)C(=O)N1CCNCC1.Cl.[H][H]
InChIInChI=1S/C9H19N3O.ClH.H2/c1-3-11(4-2)9(13)12-7-5-10-6-8-12;;/h10H,3-8H2,1-2H3;2*1H
InChIKeyVCXNJYLAJXZXPX-UHFFFAOYSA-N
MW223.75 g/mol
LogP1.02
Rot. Bonds2

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

N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride (PubChem CID 43842039) has the molecular formula C9H22ClN3O and a molecular weight of 223.75 g/mol. Its IUPAC name is N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride.

Molecular Properties

Compound NameN,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
PubChem CID43842039
Molecular FormulaC9H22ClN3O
Molecular Weight223.75 g/mol
Exact Mass223.15
IUPAC NameN,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
SMILESCCN(CC)C(=O)N1CCNCC1.Cl.[H][H]
InChIInChI=1S/C9H19N3O.ClH.H2/c1-3-11(4-2)9(13)12-7-5-10-6-8-12;;/h10H,3-8H2,1-2H3;2*1H
InChIKeyVCXNJYLAJXZXPX-UHFFFAOYSA-N
XLogP1.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride?
The IUPAC name of N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride (CID 43842039) is N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride.
What is the SMILES notation for N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride?
The canonical SMILES for N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride is CCN(CC)C(=O)N1CCNCC1.Cl.[H][H].
What is the InChIKey of N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride?
The InChIKey is VCXNJYLAJXZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.ClH.H2/c1-3-11(4-2)9(13)12-7-5-10-6-8-12;;/h10H,3-8H2,1-2H3;2*1H.
What are the key properties of N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride?
N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 1.02, 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;molecular hydrogen;hydrochloride is sourced from PubChem (CID 43842039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).