(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one

C18H25NO2 — CID 35329051

IUPAC(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25NO2/c1-13-8-10-19(11-9-13)18(20)14(2)21-17-7-6-15-4-3-5-16(15)12-17/h6-7,12-14H,3-5,8-11H2,1-2H3/t14-/m0/s1
InChIKeyGZVKKLSMPQMBGB-AWEZNQCLSA-N
MW287.40 g/mol
LogP3.20
Rot. Bonds3

About (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one

(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 35329051) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID35329051
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25NO2/c1-13-8-10-19(11-9-13)18(20)14(2)21-17-7-6-15-4-3-5-16(15)12-17/h6-7,12-14H,3-5,8-11H2,1-2H3/t14-/m0/s1
InChIKeyGZVKKLSMPQMBGB-AWEZNQCLSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
(2S)-1-(4-benzylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 100522778
2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171145256
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 39854933
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 100716808
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 133162137
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 43077828
2-phenoxy-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 43003247
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 133265374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 35329051) is (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is GZVKKLSMPQMBGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-8-10-19(11-9-13)18(20)14(2)21-17-7-6-15-4-3-5-16(15)12-17/h6-7,12-14H,3-5,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 35329051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).