N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride

C13H24ClN3O2 — CID 119260097

IUPACN-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C13H23N3O2.ClH/c17-12(16-8-6-14-7-9-16)10-15-13(18)11-4-2-1-3-5-11;/h11,14H,1-10H2,(H,15,18);1H
InChIKeyOOYMIIDRMRYBHK-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.54
Rot. Bonds3

About N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride

N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride (PubChem CID 119260097) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
PubChem CID119260097
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1)C1CCCCC1
InChIInChI=1S/C13H23N3O2.ClH/c17-12(16-8-6-14-7-9-16)10-15-13(18)11-4-2-1-3-5-11;/h11,14H,1-10H2,(H,15,18);1H
InChIKeyOOYMIIDRMRYBHK-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
N-[4-(1,4-diazepan-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119415054
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-(2-oxo-2-piperidin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 112701646
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119700662
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 79760319
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119700658

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride (CID 119260097) is N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride is Cl.O=C(NCC(=O)N1CCNCC1)C1CCCCC1.
What is the InChIKey of N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride?
The InChIKey is OOYMIIDRMRYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c17-12(16-8-6-14-7-9-16)10-15-13(18)11-4-2-1-3-5-11;/h11,14H,1-10H2,(H,15,18);1H.
What are the key properties of N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride?
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119260097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).