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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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 54948205
N,N-diethylpiperazine-1-carbothioamide
CID 82282428
N,N-bis(prop-2-enyl)piperazine-1-carboxamide
CID 70546144
N,N-diethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 116654802
N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302

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).