N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide

C14H27N3O — CID 64921967

IUPACN-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide
SMILESCCC1CCC(NC(=O)CN2CCNCC2)C1C
InChIInChI=1S/C14H27N3O/c1-3-12-4-5-13(11(12)2)16-14(18)10-17-8-6-15-7-9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyZPVKHKGDEGSOMQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.83
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide

N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide (PubChem CID 64921967) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide
PubChem CID64921967
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide
SMILESCCC1CCC(NC(=O)CN2CCNCC2)C1C
InChIInChI=1S/C14H27N3O/c1-3-12-4-5-13(11(12)2)16-14(18)10-17-8-6-15-7-9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyZPVKHKGDEGSOMQ-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide (CID 64921967) is N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide is CCC1CCC(NC(=O)CN2CCNCC2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide?
The InChIKey is ZPVKHKGDEGSOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-12-4-5-13(11(12)2)16-14(18)10-17-8-6-15-7-9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide?
N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide has a molecular weight of 253.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 64921967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).