N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

C20H28F3N3O3 — CID 175285258

IUPACN-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CN1CCNCC1)N(c1ccccc1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O.C2HF3O2/c22-18(15-20-13-11-19-12-14-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3-2(4,5)1(6)7/h1,3-4,7-8,17,19H,2,5-6,9-15H2;(H,6,7)
InChIKeyPLZJDSJVIUUBCV-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.89
Rot. Bonds4

About N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 175285258) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID175285258
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC NameN-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CN1CCNCC1)N(c1ccccc1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O.C2HF3O2/c22-18(15-20-13-11-19-12-14-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3-2(4,5)1(6)7/h1,3-4,7-8,17,19H,2,5-6,9-15H2;(H,6,7)
InChIKeyPLZJDSJVIUUBCV-UHFFFAOYSA-N
XLogP2.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 45274819
1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121628
1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 57166210
[1-[2-(N-(4-methylcyclohexyl)anilino)-2-oxoethyl]piperazin-2-yl] 2,2,2-trifluoroacetate
CID 174725736
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 59404826
N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
CID 156786567
N-cyclopentyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058585
3-[2-(N-cyclohexylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539167
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1,4-diazepan-1-yl)acetamide
CID 43237174

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (CID 175285258) is N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is O=C(CN1CCNCC1)N(c1ccccc1)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PLZJDSJVIUUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.C2HF3O2/c22-18(15-20-13-11-19-12-14-20)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3-2(4,5)1(6)7/h1,3-4,7-8,17,19H,2,5-6,9-15H2;(H,6,7).
What are the key properties of N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 415.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175285258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).