(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one

C21H22N2O3 — CID 51894203

IUPAC(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c1-26-20-9-5-4-8-18(20)22-10-12-23(13-11-22)21(25)17-14-19(24)16-7-3-2-6-15(16)17/h2-9,17H,10-14H2,1H3/t17-/m1/s1
InChIKeyOJOOURCFVUIYIR-QGZVFWFLSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds3

About (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one

(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 51894203) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID51894203
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c1-26-20-9-5-4-8-18(20)22-10-12-23(13-11-22)21(25)17-14-19(24)16-7-3-2-6-15(16)17/h2-9,17H,10-14H2,1H3/t17-/m1/s1
InChIKeyOJOOURCFVUIYIR-QGZVFWFLSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 41024311
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120796726
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one (CID 51894203) is (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one is COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1.
What is the InChIKey of (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is OJOOURCFVUIYIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-20-9-5-4-8-18(20)22-10-12-23(13-11-22)21(25)17-14-19(24)16-7-3-2-6-15(16)17/h2-9,17H,10-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 51894203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).