naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H19N3O — CID 1280312

IUPACnaphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19N3O/c24-20(18-9-8-16-5-1-2-6-17(16)15-18)23-13-11-22(12-14-23)19-7-3-4-10-21-19/h1-10,15H,11-14H2
InChIKeyXECPOVMFIXGMON-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.20
Rot. Bonds2

About naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 1280312) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID1280312
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namenaphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19N3O/c24-20(18-9-8-16-5-1-2-6-17(16)15-18)23-13-11-22(12-14-23)19-7-3-4-10-21-19/h1-10,15H,11-14H2
InChIKeyXECPOVMFIXGMON-UHFFFAOYSA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azaperone
CID 15443
Netupitant
CID 6451149
Difenpiramide
CID 100472
Amg-548
CID 11167112
Piketoprofen
CID 68801
Imnopitant
CID 9808518
2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile
CID 92045137
Cinuperone
CID 133832
2-Ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470734
2-Ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470735
2-Ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470736
2-Ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470737

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 1280312) is naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2ccccc2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XECPOVMFIXGMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(18-9-8-16-5-1-2-6-17(16)15-18)23-13-11-22(12-14-23)19-7-3-4-10-21-19/h1-10,15H,11-14H2.
What are the key properties of naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1280312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).