2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C21H22N2O3 — CID 120732955

IUPAC2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H22N2O3/c1-25-20-9-5-3-7-17(20)18-13-22-10-11-23(18)21(24)16-12-15-6-2-4-8-19(15)26-14-16/h2-9,12,18,22H,10-11,13-14H2,1H3
InChIKeyXIOZRMJUFTZOHP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds3

About 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120732955) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120732955
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H22N2O3/c1-25-20-9-5-3-7-17(20)18-13-22-10-11-23(18)21(24)16-12-15-6-2-4-8-19(15)26-14-16/h2-9,12,18,22H,10-11,13-14H2,1H3
InChIKeyXIOZRMJUFTZOHP-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120733628
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735066
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732907

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120732955) is 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1C1CNCCN1C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is XIOZRMJUFTZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-20-9-5-3-7-17(20)18-13-22-10-11-23(18)21(24)16-12-15-6-2-4-8-19(15)26-14-16/h2-9,12,18,22H,10-11,13-14H2,1H3.
What are the key properties of 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120732955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).