(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C22H27N3O2 — CID 27234057

IUPAC(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-20(27-19-10-9-17-6-5-7-18(17)16-19)22(26)25-14-12-24(13-15-25)21-8-3-4-11-23-21/h3-4,8-11,16,20H,2,5-7,12-15H2,1H3/t20-/m1/s1
InChIKeyVEGKMCUIKNIGSZ-HXUWFJFHSA-N
MW365.48 g/mol
LogP3.08
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 27234057) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID27234057
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-20(27-19-10-9-17-6-5-7-18(17)16-19)22(26)25-14-12-24(13-15-25)21-8-3-4-11-23-21/h3-4,8-11,16,20H,2,5-7,12-15H2,1H3/t20-/m1/s1
InChIKeyVEGKMCUIKNIGSZ-HXUWFJFHSA-N
XLogP3.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 27234059
tert-butyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)butanoyl]-1,4-diazepane-1-carboxylate
CID 110281043
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
2-ethoxy-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 75506654
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
2-butyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 10266982
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 27234057) is (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is VEGKMCUIKNIGSZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-20(27-19-10-9-17-6-5-7-18(17)16-19)22(26)25-14-12-24(13-15-25)21-8-3-4-11-23-21/h3-4,8-11,16,20H,2,5-7,12-15H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 365.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 27234057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).