2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide

C16H29N3O2 — CID 101398587

IUPAC2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide
SMILESCC(=O)N1CCN(C(C)(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-13(20)18-9-11-19(12-10-18)16(2,3)15(21)17-14-7-5-4-6-8-14/h14H,4-12H2,1-3H3,(H,17,21)
InChIKeyGCQYJTZIFSJPQJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.38
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide

2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide (PubChem CID 101398587) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide
PubChem CID101398587
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide
SMILESCC(=O)N1CCN(C(C)(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-13(20)18-9-11-19(12-10-18)16(2,3)15(21)17-14-7-5-4-6-8-14/h14H,4-12H2,1-3H3,(H,17,21)
InChIKeyGCQYJTZIFSJPQJ-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68835
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2-(1,4-diazaspiro[5.5]undecan-4-yl)-N-methyl-N-pentylacetamide
CID 49853579
N-cyclohexyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 49853881
N-cyclohexyl-2-(4-cyclopentylpiperazin-1-yl)-2-methylpropanamide
CID 49853987
2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
CID 15165099
N-Cyclohexyl-2-oxo-2-(1-piperidinyl)ethaneamine
CID 10242745
N-acetylglycyl-N-cyclohexylisovalinamide
CID 3235937
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide (CID 101398587) is 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide is CC(=O)N1CCN(C(C)(C)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide?
The InChIKey is GCQYJTZIFSJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(20)18-9-11-19(12-10-18)16(2,3)15(21)17-14-7-5-4-6-8-14/h14H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide?
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 101398587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).