(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C18H21N3O3 — CID 155500073

IUPAC(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCn1cc(CC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c2ccccc21
InChIInChI=1S/C18H21N3O3/c1-20-7-12(15-4-2-3-5-16(15)20)6-17(22)21-8-13-10-24-11-14(9-21)19-18(13)23/h2-5,7,13-14H,6,8-11H2,1H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyYPZRMLXJEUYZRG-KGLIPLIRSA-N
MW327.38 g/mol
LogP0.69
Rot. Bonds2

About (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 155500073) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID155500073
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESCn1cc(CC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c2ccccc21
InChIInChI=1S/C18H21N3O3/c1-20-7-12(15-4-2-3-5-16(15)20)6-17(22)21-8-13-10-24-11-14(9-21)19-18(13)23/h2-5,7,13-14H,6,8-11H2,1H3,(H,19,23)/t13-,14+/m1/s1
InChIKeyYPZRMLXJEUYZRG-KGLIPLIRSA-N
XLogP0.69
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
(1S,5R)-7-[(1-methylindol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135099797
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
2-(1-methylindol-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]ethanone
CID 165435942
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945646

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 155500073) is (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is Cn1cc(CC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c2ccccc21.
What is the InChIKey of (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is YPZRMLXJEUYZRG-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20-7-12(15-4-2-3-5-16(15)20)6-17(22)21-8-13-10-24-11-14(9-21)19-18(13)23/h2-5,7,13-14H,6,8-11H2,1H3,(H,19,23)/t13-,14+/m1/s1.
What are the key properties of (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 327.38 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 155500073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).