naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone

C21H20N2O — CID 787692

IUPACnaphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O/c24-21(19-11-10-17-6-4-5-7-18(17)16-19)23-14-12-22(13-15-23)20-8-2-1-3-9-20/h1-11,16H,12-15H2
InChIKeyBSUMYVWBDXAJKX-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.80
Rot. Bonds2

About naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone

naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 787692) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID787692
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Namenaphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O/c24-21(19-11-10-17-6-4-5-7-18(17)16-19)23-14-12-22(13-15-23)20-8-2-1-3-9-20/h1-11,16H,12-15H2
InChIKeyBSUMYVWBDXAJKX-UHFFFAOYSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone (CID 787692) is naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BSUMYVWBDXAJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(19-11-10-17-6-4-5-7-18(17)16-19)23-14-12-22(13-15-23)20-8-2-1-3-9-20/h1-11,16H,12-15H2.
What are the key properties of naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone?
naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 787692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).