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

C22H23N3O — CID 120732001

IUPAC3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccc2ccccc2c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C22H23N3O/c26-22(10-8-17-7-9-18-4-1-2-5-19(18)14-17)25-13-12-24-16-21(25)20-6-3-11-23-15-20/h1-7,9,11,14-15,21,24H,8,10,12-13,16H2
InChIKeyYEBBVLCHYODZAQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.34
Rot. Bonds4

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

3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one (PubChem CID 120732001) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
PubChem CID120732001
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccc2ccccc2c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C22H23N3O/c26-22(10-8-17-7-9-18-4-1-2-5-19(18)14-17)25-13-12-24-16-21(25)20-6-3-11-23-15-20/h1-7,9,11,14-15,21,24H,8,10,12-13,16H2
InChIKeyYEBBVLCHYODZAQ-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081
3-(3-nitrophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730938
3-(3-cyclopentyloxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730987
4-(3,4-dichlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120730016
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
4-(3,4-difluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120728910
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120878290
N-methyl-4-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide;hydrochloride
CID 120729176
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one (CID 120732001) is 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one is O=C(CCc1ccc2ccccc2c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
The InChIKey is YEBBVLCHYODZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(10-8-17-7-9-18-4-1-2-5-19(18)14-17)25-13-12-24-16-21(25)20-6-3-11-23-15-20/h1-7,9,11,14-15,21,24H,8,10,12-13,16H2.
What are the key properties of 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one?
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one has a molecular weight of 345.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 120732001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).