2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one

C22H23N3O2 — CID 70777331

IUPAC2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C22H23N3O2/c1-17(27-21-9-8-18-5-2-3-6-19(18)15-21)22(26)25-13-11-24(12-14-25)20-7-4-10-23-16-20/h2-10,15-17H,11-14H2,1H3
InChIKeyDSRRKHBPNJQTGD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.35
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one

2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 70777331) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID70777331
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C22H23N3O2/c1-17(27-21-9-8-18-5-2-3-6-19(18)15-21)22(26)25-13-11-24(12-14-25)20-7-4-10-23-16-20/h2-10,15-17H,11-14H2,1H3
InChIKeyDSRRKHBPNJQTGD-UHFFFAOYSA-N
XLogP3.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 70777350
2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 70709165
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 42024714
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
CID 97110031
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
4-ethyl-7-methyl-5-[1-oxo-1-(4-pyridin-3-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 171908164

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one (CID 70777331) is 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one is CC(Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccnc2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is DSRRKHBPNJQTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17(27-21-9-8-18-5-2-3-6-19(18)15-21)22(26)25-13-11-24(12-14-25)20-7-4-10-23-16-20/h2-10,15-17H,11-14H2,1H3.
What are the key properties of 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one?
2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 361.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 70777331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).