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

C18H33N3O3 — CID 42842484

IUPACN-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C18H33N3O3/c1-4-14(2)19-18(23)17(15-7-5-6-8-15)21-11-9-20(10-12-21)16(22)13-24-3/h14-15,17H,4-13H2,1-3H3,(H,19,23)
InChIKeyTXOUEYANDXAVRN-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.25
Rot. Bonds7

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

N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 42842484) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
PubChem CID42842484
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C18H33N3O3/c1-4-14(2)19-18(23)17(15-7-5-6-8-15)21-11-9-20(10-12-21)16(22)13-24-3/h14-15,17H,4-13H2,1-3H3,(H,19,23)
InChIKeyTXOUEYANDXAVRN-UHFFFAOYSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide (CID 42842484) is N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)COC)CC1.
What is the InChIKey of N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is TXOUEYANDXAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-14(2)19-18(23)17(15-7-5-6-8-15)21-11-9-20(10-12-21)16(22)13-24-3/h14-15,17H,4-13H2,1-3H3,(H,19,23).
What are the key properties of N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42842484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).