N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide

C17H31N3O2 — CID 8549377

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CN2CCNC(=O)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-4-17(2,3)13-5-7-14(8-6-13)19-16(22)12-20-10-9-18-15(21)11-20/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUJVCNEYHXOUCAV-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.53
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8549377) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8549377
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CN2CCNC(=O)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-4-17(2,3)13-5-7-14(8-6-13)19-16(22)12-20-10-9-18-15(21)11-20/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUJVCNEYHXOUCAV-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738203
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 9492242
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
3-(2,5-dioxoimidazolidin-4-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 51073460
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 134029552
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 47009749
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571997
N-(6-oxopiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 63662108
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119691463
2-(3-methylazetidin-3-yl)oxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 102610960

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8549377) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide is CCC(C)(C)C1CCC(NC(=O)CN2CCNC(=O)C2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is UJVCNEYHXOUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-17(2,3)13-5-7-14(8-6-13)19-16(22)12-20-10-9-18-15(21)11-20/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 309.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8549377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).