N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C18H31N5O — CID 120870995

IUPACN-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCN(CC1CCCCC1)C(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C18H31N5O/c1-21-10-9-20-18(21)16-12-19-8-11-23(16)14-17(24)22(2)13-15-6-4-3-5-7-15/h9-10,15-16,19H,3-8,11-14H2,1-2H3
InChIKeyLESQLVNMZNRYKH-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.41
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120870995) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120870995
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCN(CC1CCCCC1)C(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C18H31N5O/c1-21-10-9-20-18(21)16-12-19-8-11-23(16)14-17(24)22(2)13-15-6-4-3-5-7-15/h9-10,15-16,19H,3-8,11-14H2,1-2H3
InChIKeyLESQLVNMZNRYKH-UHFFFAOYSA-N
XLogP1.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870455
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870243
N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 120871075
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870032
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871375
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
CID 120871171
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120870995) is N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is CN(CC1CCCCC1)C(=O)CN1CCNCC1c1nccn1C.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is LESQLVNMZNRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21-10-9-20-18(21)16-12-19-8-11-23(16)14-17(24)22(2)13-15-6-4-3-5-7-15/h9-10,15-16,19H,3-8,11-14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120870995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).