8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H31N3O3 — CID 66783441

IUPAC8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(N2CCC3(CC2)CNC(=O)O3)cc1
InChIInChI=1S/C21H31N3O3/c1-17-4-2-11-23(17)12-3-15-26-19-7-5-18(6-8-19)24-13-9-21(10-14-24)16-22-20(25)27-21/h5-8,17H,2-4,9-16H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyWBBICTAVSCMTFM-QGZVFWFLSA-N
MW373.50 g/mol
LogP3.02
Rot. Bonds6

About 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66783441) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66783441
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(N2CCC3(CC2)CNC(=O)O3)cc1
InChIInChI=1S/C21H31N3O3/c1-17-4-2-11-23(17)12-3-15-26-19-7-5-18(6-8-19)24-13-9-21(10-14-24)16-22-20(25)27-21/h5-8,17H,2-4,9-16H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyWBBICTAVSCMTFM-QGZVFWFLSA-N
XLogP3.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66783441) is 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C[C@@H]1CCCN1CCCOc1ccc(N2CCC3(CC2)CNC(=O)O3)cc1.
What is the InChIKey of 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WBBICTAVSCMTFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17-4-2-11-23(17)12-3-15-26-19-7-5-18(6-8-19)24-13-9-21(10-14-24)16-22-20(25)27-21/h5-8,17H,2-4,9-16H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 373.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66783441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).