(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone

C21H22N2O3 — CID 51925423

IUPAC(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1
InChIInChI=1S/C21H22N2O3/c24-20(16-6-2-1-3-7-16)22-10-12-23(13-11-22)21(25)18-14-17-8-4-5-9-19(17)26-15-18/h1-9,18H,10-15H2/t18-/m0/s1
InChIKeyJKFYMLBLGSXRPN-SFHVURJKSA-N
MW350.42 g/mol
LogP2.22
Rot. Bonds2

About (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone

(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone (PubChem CID 51925423) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone.

Molecular Properties

Compound Name(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
PubChem CID51925423
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1
InChIInChI=1S/C21H22N2O3/c24-20(16-6-2-1-3-7-16)22-10-12-23(13-11-22)21(25)18-14-17-8-4-5-9-19(17)26-15-18/h1-9,18H,10-15H2/t18-/m0/s1
InChIKeyJKFYMLBLGSXRPN-SFHVURJKSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307
(4-benzylpiperazin-1-yl)-(3,4-dihydro-2H-chromen-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885137
3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323430
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408

Frequently Asked Questions

What is the IUPAC name of (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone?
The IUPAC name of (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone (CID 51925423) is (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone.
What is the SMILES notation for (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone?
The canonical SMILES for (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1.
What is the InChIKey of (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone?
The InChIKey is JKFYMLBLGSXRPN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(16-6-2-1-3-7-16)22-10-12-23(13-11-22)21(25)18-14-17-8-4-5-9-19(17)26-15-18/h1-9,18H,10-15H2/t18-/m0/s1.
What are the key properties of (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone?
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone is sourced from PubChem (CID 51925423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).