N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

C19H22F3N3O3 — CID 172895290

IUPACN-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CN1CCNCC1)NCc1cccc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N3O.C2HF3O2/c21-17(13-20-10-8-18-9-11-20)19-12-15-6-3-5-14-4-1-2-7-16(14)15;3-2(4,5)1(6)7/h1-7,18H,8-13H2,(H,19,21);(H,6,7)
InChIKeyWFFOJPSHZSDKDI-UHFFFAOYSA-N
MW397.40 g/mol
LogP1.99
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 172895290) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID172895290
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CN1CCNCC1)NCc1cccc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21N3O.C2HF3O2/c21-17(13-20-10-8-18-9-11-20)19-12-15-6-3-5-14-4-1-2-7-16(14)15;3-2(4,5)1(6)7/h1-7,18H,8-13H2,(H,19,21);(H,6,7)
InChIKeyWFFOJPSHZSDKDI-UHFFFAOYSA-N
XLogP1.99
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[[1-(naphthalen-1-ylmethyl)triazol-4-yl]methyl]acetamide
CID 154866577
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126
N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 90006117
4-methyl-3-[[(2-piperazin-1-ylacetyl)amino]methyl]benzoic acid
CID 122559628
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-N-(naphthalen-1-ylmethyl)acetamide
CID 134108320
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
N-[(2-methyl-3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
CID 103109348
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-1,4-diazepane-6-carboxylic acid
CID 74231746
N'-(naphthalen-1-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine;hydrochloride
CID 45263554
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (CID 172895290) is N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is O=C(CN1CCNCC1)NCc1cccc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WFFOJPSHZSDKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.C2HF3O2/c21-17(13-20-10-8-18-9-11-20)19-12-15-6-3-5-14-4-1-2-7-16(14)15;3-2(4,5)1(6)7/h1-7,18H,8-13H2,(H,19,21);(H,6,7).
What are the key properties of N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 397.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172895290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).