(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one

C19H24N2O3 — CID 7678686

IUPAC(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one
SMILESC[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24N2O3/c1-14(12-15-13-20-17-5-3-2-4-16(15)17)18(22)21-8-6-19(7-9-21)23-10-11-24-19/h2-5,13-14,20H,6-12H2,1H3/t14-/m1/s1
InChIKeyLHWUVTUBDGFBMN-CQSZACIVSA-N
MW328.41 g/mol
LogP2.71
Rot. Bonds3

About (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one

(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 7678686) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID7678686
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one
SMILESC[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24N2O3/c1-14(12-15-13-20-17-5-3-2-4-16(15)17)18(22)21-8-6-19(7-9-21)23-10-11-24-19/h2-5,13-14,20H,6-12H2,1H3/t14-/m1/s1
InChIKeyLHWUVTUBDGFBMN-CQSZACIVSA-N
XLogP2.71
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 38393886
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
N-[1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 166216090
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994
(2S)-2-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957351

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one (CID 7678686) is (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one is C[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is LHWUVTUBDGFBMN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(12-15-13-20-17-5-3-2-4-16(15)17)18(22)21-8-6-19(7-9-21)23-10-11-24-19/h2-5,13-14,20H,6-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one?
(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 328.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 7678686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).