(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one

C22H32N2O3 — CID 97119315

IUPAC(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCC[C@@]12CCN(CCCOc1ccccc1)C2
InChIInChI=1S/C22H32N2O3/c25-21-22(10-4-13-24(21)19-8-16-26-17-9-19)11-14-23(18-22)12-5-15-27-20-6-2-1-3-7-20/h1-3,6-7,19H,4-5,8-18H2/t22-/m0/s1
InChIKeyRKFJEMBMEVAWMW-QFIPXVFZSA-N
MW372.51 g/mol
LogP2.95
Rot. Bonds6

About (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97119315) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97119315
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCC[C@@]12CCN(CCCOc1ccccc1)C2
InChIInChI=1S/C22H32N2O3/c25-21-22(10-4-13-24(21)19-8-16-26-17-9-19)11-14-23(18-22)12-5-15-27-20-6-2-1-3-7-20/h1-3,6-7,19H,4-5,8-18H2/t22-/m0/s1
InChIKeyRKFJEMBMEVAWMW-QFIPXVFZSA-N
XLogP2.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72838415
(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109673
7-(oxan-4-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72855207
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
(5R)-2-isoquinolin-1-yl-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97150324
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938595
9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 66723598
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 71933259
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97119315) is (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCC[C@@]12CCN(CCCOc1ccccc1)C2.
What is the InChIKey of (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RKFJEMBMEVAWMW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-21-22(10-4-13-24(21)19-8-16-26-17-9-19)11-14-23(18-22)12-5-15-27-20-6-2-1-3-7-20/h1-3,6-7,19H,4-5,8-18H2/t22-/m0/s1.
What are the key properties of (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).