2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

C19H35N3O3 — CID 24719971

IUPAC2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCOCC(=O)N1CCN(C(C(=O)NCCC(C)C)C2CCCC2)CC1
InChIInChI=1S/C19H35N3O3/c1-15(2)8-9-20-19(24)18(16-6-4-5-7-16)22-12-10-21(11-13-22)17(23)14-25-3/h15-16,18H,4-14H2,1-3H3,(H,20,24)
InChIKeyAGHXQYPEEDYLEI-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.50
Rot. Bonds8

About 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 24719971) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID24719971
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCOCC(=O)N1CCN(C(C(=O)NCCC(C)C)C2CCCC2)CC1
InChIInChI=1S/C19H35N3O3/c1-15(2)8-9-20-19(24)18(16-6-4-5-7-16)22-12-10-21(11-13-22)17(23)14-25-3/h15-16,18H,4-14H2,1-3H3,(H,20,24)
InChIKeyAGHXQYPEEDYLEI-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
4-ethyl-N-(3-methyl-1-{[2-(morpholin-4-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3390135
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 25163204
1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 71880006
(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
CID 155555474
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
CID 75411411
2-Cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 24719833
(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411406
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75529644

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide (CID 24719971) is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide is COCC(=O)N1CCN(C(C(=O)NCCC(C)C)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is AGHXQYPEEDYLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-15(2)8-9-20-19(24)18(16-6-4-5-7-16)22-12-10-21(11-13-22)17(23)14-25-3/h15-16,18H,4-14H2,1-3H3,(H,20,24).
What are the key properties of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide?
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 353.51 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 24719971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).