(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C19H25N3O3 — CID 95719735

IUPAC(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@@]2(CCCN(C(=O)CCN3Cc4ccccc4C3)C2)OC1=O
InChIInChI=1S/C19H25N3O3/c1-20-13-19(25-18(20)24)8-4-9-22(14-19)17(23)7-10-21-11-15-5-2-3-6-16(15)12-21/h2-3,5-6H,4,7-14H2,1H3/t19-/m1/s1
InChIKeyHCXBEWHWWTYJRO-LJQANCHMSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds3

About (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95719735) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95719735
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@@]2(CCCN(C(=O)CCN3Cc4ccccc4C3)C2)OC1=O
InChIInChI=1S/C19H25N3O3/c1-20-13-19(25-18(20)24)8-4-9-22(14-19)17(23)7-10-21-11-15-5-2-3-6-16(15)12-21/h2-3,5-6H,4,7-14H2,1H3/t19-/m1/s1
InChIKeyHCXBEWHWWTYJRO-LJQANCHMSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56882757
(5S)-3-methyl-9-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99970275
(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97273752
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
3-methyl-9-[2-(2-oxoquinoxalin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 72908091
9-(2-indazol-1-ylacetyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 86285630
7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56908682
(5S)-7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723250
(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 131905488
N-benzyl-N-methyl-3-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 56910301
(5S)-N-(9H-fluoren-9-yl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126447552

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95719735) is (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1C[C@@]2(CCCN(C(=O)CCN3Cc4ccccc4C3)C2)OC1=O.
What is the InChIKey of (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is HCXBEWHWWTYJRO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-20-13-19(25-18(20)24)8-4-9-22(14-19)17(23)7-10-21-11-15-5-2-3-6-16(15)12-21/h2-3,5-6H,4,7-14H2,1H3/t19-/m1/s1.
What are the key properties of (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95719735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).