3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone

C22H24N2O3 — CID 110802138

IUPAC3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C22H24N2O3/c1-16-5-2-3-7-19(16)22(26)24-12-10-23(11-13-24)21(25)18-8-9-20-17(15-18)6-4-14-27-20/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyVJHRTFVOUYIKLB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.92
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone

3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110802138) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID110802138
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C22H24N2O3/c1-16-5-2-3-7-19(16)22(26)24-12-10-23(11-13-24)21(25)18-8-9-20-17(15-18)6-4-14-27-20/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyVJHRTFVOUYIKLB-UHFFFAOYSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814974
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
4-(3,4-dihydro-2H-chromene-6-carbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813648
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone (CID 110802138) is 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is VJHRTFVOUYIKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-5-2-3-7-19(16)22(26)24-12-10-23(11-13-24)21(25)18-8-9-20-17(15-18)6-4-14-27-20/h2-3,5,7-9,15H,4,6,10-14H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone?
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110802138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).