2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one

C24H34N2O2 — CID 67479016

IUPAC2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCOCC4)C3=O)cc2)C1
InChIInChI=1S/C24H34N2O2/c1-18-3-2-13-25(18)22-9-6-20(17-22)19-4-7-21(8-5-19)26-14-10-24(23(26)27)11-15-28-16-12-24/h4-5,7-8,18,20,22H,2-3,6,9-17H2,1H3/t18-,20-,22-/m0/s1
InChIKeyWTVFOYLNIDIYLJ-VCOUNFBDSA-N
MW382.55 g/mol
LogP4.34
Rot. Bonds3

About 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one

2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one (PubChem CID 67479016) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
PubChem CID67479016
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCOCC4)C3=O)cc2)C1
InChIInChI=1S/C24H34N2O2/c1-18-3-2-13-25(18)22-9-6-20(17-22)19-4-7-21(8-5-19)26-14-10-24(23(26)27)11-15-28-16-12-24/h4-5,7-8,18,20,22H,2-3,6,9-17H2,1H3/t18-,20-,22-/m0/s1
InChIKeyWTVFOYLNIDIYLJ-VCOUNFBDSA-N
XLogP4.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one (CID 67479016) is 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one is C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCOCC4)C3=O)cc2)C1.
What is the InChIKey of 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The InChIKey is WTVFOYLNIDIYLJ-VCOUNFBDSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-18-3-2-13-25(18)22-9-6-20(17-22)19-4-7-21(8-5-19)26-14-10-24(23(26)27)11-15-28-16-12-24/h4-5,7-8,18,20,22H,2-3,6,9-17H2,1H3/t18-,20-,22-/m0/s1.
What are the key properties of 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one has a molecular weight of 382.55 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 67479016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).