N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

C17H27N5O2 — CID 120880644

IUPACN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCn1ccnc1C1CNCCN1C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C17H27N5O2/c1-21-9-8-19-16(21)14-11-18-7-10-22(14)15(23)12-20-17(24)13-5-3-2-4-6-13/h8-9,13-14,18H,2-7,10-12H2,1H3,(H,20,24)
InChIKeyVDJUGNBFOIQFJU-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.59
Rot. Bonds4

About N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 120880644) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID120880644
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCn1ccnc1C1CNCCN1C(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C17H27N5O2/c1-21-9-8-19-16(21)14-11-18-7-10-22(14)15(23)12-20-17(24)13-5-3-2-4-6-13/h8-9,13-14,18H,2-7,10-12H2,1H3,(H,20,24)
InChIKeyVDJUGNBFOIQFJU-UHFFFAOYSA-N
XLogP0.59
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120879777
1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 120879828
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 120880679
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120879894

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (CID 120880644) is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is Cn1ccnc1C1CNCCN1C(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is VDJUGNBFOIQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-21-9-8-19-16(21)14-11-18-7-10-22(14)15(23)12-20-17(24)13-5-3-2-4-6-13/h8-9,13-14,18H,2-7,10-12H2,1H3,(H,20,24).
What are the key properties of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 120880644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).