2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C19H20F3N3O2 — CID 35253095

IUPAC2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc3ccccc23)CC1)NCC(F)(F)F
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-23-17(26)12-24-8-10-25(11-9-24)18(27)16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H,23,26)
InChIKeyWRATWTXMRGRHAZ-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.28
Rot. Bonds4

About 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 35253095) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID35253095
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc3ccccc23)CC1)NCC(F)(F)F
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)13-23-17(26)12-24-8-10-25(11-9-24)18(27)16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H,23,26)
InChIKeyWRATWTXMRGRHAZ-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37375212
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 112815469
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37384302
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 35253095) is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(C(=O)c2cccc3ccccc23)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WRATWTXMRGRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)13-23-17(26)12-24-8-10-25(11-9-24)18(27)16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H,23,26).
What are the key properties of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 379.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 35253095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).