2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide

C17H27N5O — CID 56869498

IUPAC2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C17H27N5O/c1-2-18-16(23)13-21-9-11-22(12-10-21)17-19-8-7-15(20-17)14-5-3-4-6-14/h7-8,14H,2-6,9-13H2,1H3,(H,18,23)
InChIKeyYVEOMFPCOMEAAM-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide

2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 56869498) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
PubChem CID56869498
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2nccc(C3CCCC3)n2)CC1
InChIInChI=1S/C17H27N5O/c1-2-18-16(23)13-21-9-11-22(12-10-21)17-19-8-7-15(20-17)14-5-3-4-6-14/h7-8,14H,2-6,9-13H2,1H3,(H,18,23)
InChIKeyYVEOMFPCOMEAAM-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide (CID 56869498) is 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2nccc(C3CCCC3)n2)CC1.
What is the InChIKey of 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is YVEOMFPCOMEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-18-16(23)13-21-9-11-22(12-10-21)17-19-8-7-15(20-17)14-5-3-4-6-14/h7-8,14H,2-6,9-13H2,1H3,(H,18,23).
What are the key properties of 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 317.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 56869498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).