ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid

C17H21N3O2 — CID 174501263

IUPACethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid
SMILESCCN(C(=O)O)N1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C17H21N3O2/c1-2-20(17(21)22)19-12-10-18(11-13-19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,21,22)
InChIKeyQFIQKULYZGOJSQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.88
Rot. Bonds3

About ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid

ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid (PubChem CID 174501263) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid.

Molecular Properties

Compound Nameethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid
PubChem CID174501263
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid
SMILESCCN(C(=O)O)N1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C17H21N3O2/c1-2-20(17(21)22)19-12-10-18(11-13-19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,21,22)
InChIKeyQFIQKULYZGOJSQ-UHFFFAOYSA-N
XLogP2.88
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid?
The IUPAC name of ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid (CID 174501263) is ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid.
What is the SMILES notation for ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid?
The canonical SMILES for ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid is CCN(C(=O)O)N1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid?
The InChIKey is QFIQKULYZGOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20(17(21)22)19-12-10-18(11-13-19)16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,21,22).
What are the key properties of ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid?
ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid has a molecular weight of 299.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid is sourced from PubChem (CID 174501263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).