1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone

C24H25N3O2 — CID 170861567

IUPAC1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cccc(/N=C/c3c(O)ccc4ccccc34)c2)CC1
InChIInChI=1S/C24H25N3O2/c1-26-11-13-27(14-12-26)17-24(29)19-6-4-7-20(15-19)25-16-22-21-8-3-2-5-18(21)9-10-23(22)28/h2-10,15-16,28H,11-14,17H2,1H3/b25-16+
InChIKeySTPIBWAVCLRZKR-PCLIKHOPSA-N
MW387.48 g/mol
LogP3.73
Rot. Bonds5

About 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861567) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861567
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cccc(/N=C/c3c(O)ccc4ccccc34)c2)CC1
InChIInChI=1S/C24H25N3O2/c1-26-11-13-27(14-12-26)17-24(29)19-6-4-7-20(15-19)25-16-22-21-8-3-2-5-18(21)9-10-23(22)28/h2-10,15-16,28H,11-14,17H2,1H3/b25-16+
InChIKeySTPIBWAVCLRZKR-PCLIKHOPSA-N
XLogP3.73
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
CID 137151299
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]acetamide
CID 155817372
1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862084
2-(4-methyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)ethanone
CID 43794788
1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
CID 170861445
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
CID 170862215
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1039252

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170861567) is 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2cccc(/N=C/c3c(O)ccc4ccccc34)c2)CC1.
What is the InChIKey of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is STPIBWAVCLRZKR-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26-11-13-27(14-12-26)17-24(29)19-6-4-7-20(15-19)25-16-22-21-8-3-2-5-18(21)9-10-23(22)28/h2-10,15-16,28H,11-14,17H2,1H3/b25-16+.
What are the key properties of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 387.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).