N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide

C16H26F3N3O2 — CID 136560322

IUPACN-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CCN1C1CCCC1
InChIInChI=1S/C16H26F3N3O2/c1-11-10-21(8-9-22(11)12-6-4-5-7-12)14(24)15(2,3)20-13(23)16(17,18)19/h11-12H,4-10H2,1-3H3,(H,20,23)
InChIKeyASKTXIZDXCASAK-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.92
Rot. Bonds3

About N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide

N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 136560322) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID136560322
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC NameN-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CCN1C1CCCC1
InChIInChI=1S/C16H26F3N3O2/c1-11-10-21(8-9-22(11)12-6-4-5-7-12)14(24)15(2,3)20-13(23)16(17,18)19/h11-12H,4-10H2,1-3H3,(H,20,23)
InChIKeyASKTXIZDXCASAK-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide (CID 136560322) is N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide is CC1CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CCN1C1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ASKTXIZDXCASAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-11-10-21(8-9-22(11)12-6-4-5-7-12)14(24)15(2,3)20-13(23)16(17,18)19/h11-12H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 349.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-3-methylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 136560322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).