9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H30N2O3 — CID 97124368

IUPAC9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc31)CC2
InChIInChI=1S/C22H30N2O3/c1-27-15-14-24-16-22(9-8-20(24)25)10-12-23(13-11-22)21(26)19-7-6-17-4-2-3-5-18(17)19/h2-5,19H,6-16H2,1H3/t19-/m1/s1
InChIKeyQJUJYCXGIABQJW-LJQANCHMSA-N
MW370.49 g/mol
LogP2.59
Rot. Bonds4

About 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97124368) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97124368
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc31)CC2
InChIInChI=1S/C22H30N2O3/c1-27-15-14-24-16-22(9-8-20(24)25)10-12-23(13-11-22)21(26)19-7-6-17-4-2-3-5-18(17)19/h2-5,19H,6-16H2,1H3/t19-/m1/s1
InChIKeyQJUJYCXGIABQJW-LJQANCHMSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3156
CID 3156
CID 92943
CID 92943
CID 64648
CID 64648
CID 10453145
CID 10453145
CID 9648
CID 9648
CID 64647
CID 64647
CID 889990
CID 889990
CID 28248394
CID 28248394
CID 760860
CID 760860
CID 162522
CID 162522
CID 883533
CID 883533
CID 2459059
CID 2459059

Frequently Asked Questions

What is the IUPAC name of 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97124368) is 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc31)CC2.
What is the InChIKey of 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QJUJYCXGIABQJW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-27-15-14-24-16-22(9-8-20(24)25)10-12-23(13-11-22)21(26)19-7-6-17-4-2-3-5-18(17)19/h2-5,19H,6-16H2,1H3/t19-/m1/s1.
What are the key properties of 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97124368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).