(5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one

C22H31N3O — CID 97118674

IUPAC(5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2
InChIInChI=1S/C22H31N3O/c26-21-22(9-2-11-23-21)10-14-25(16-22)19-7-12-24(13-8-19)20-6-5-17-3-1-4-18(17)15-20/h5-6,15,19H,1-4,7-14,16H2,(H,23,26)/t22-/m0/s1
InChIKeyMJXLPPFEDWHQRX-QFIPXVFZSA-N
MW353.51 g/mol
LogP2.75
Rot. Bonds2

About (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97118674) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97118674
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name(5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1NCCC[C@@]12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2
InChIInChI=1S/C22H31N3O/c26-21-22(9-2-11-23-21)10-14-25(16-22)19-7-12-24(13-8-19)20-6-5-17-3-1-4-18(17)15-20/h5-6,15,19H,1-4,7-14,16H2,(H,23,26)/t22-/m0/s1
InChIKeyMJXLPPFEDWHQRX-QFIPXVFZSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one (CID 97118674) is (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one is O=C1NCCC[C@@]12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2.
What is the InChIKey of (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MJXLPPFEDWHQRX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H31N3O/c26-21-22(9-2-11-23-21)10-14-25(16-22)19-7-12-24(13-8-19)20-6-5-17-3-1-4-18(17)15-20/h5-6,15,19H,1-4,7-14,16H2,(H,23,26)/t22-/m0/s1.
What are the key properties of (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 353.51 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97118674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).