2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

C18H29N3O2 — CID 24715786

IUPAC2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H29N3O2/c1-2-9-19-17(22)16(14-5-3-4-6-14)20-10-12-21(13-11-20)18(23)15-7-8-15/h2,14-16H,1,3-13H2,(H,19,22)
InChIKeyLOUDYNNUCAXGND-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.40
Rot. Bonds6

About 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 24715786) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID24715786
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H29N3O2/c1-2-9-19-17(22)16(14-5-3-4-6-14)20-10-12-21(13-11-20)18(23)15-7-8-15/h2,14-16H,1,3-13H2,(H,19,22)
InChIKeyLOUDYNNUCAXGND-UHFFFAOYSA-N
XLogP1.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 24715786) is 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is LOUDYNNUCAXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-9-19-17(22)16(14-5-3-4-6-14)20-10-12-21(13-11-20)18(23)15-7-8-15/h2,14-16H,1,3-13H2,(H,19,22).
What are the key properties of 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 319.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 24715786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).