(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C18H24N2O2 — CID 134690512

IUPAC(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@@]2(CN(C3CCOC3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2/c1-19-9-8-18(17(19)21)13-20(15-7-10-22-12-15)11-16(18)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3/t15?,16-,18-/m0/s1
InChIKeyKQDQHBMOSKSQHH-YLGOGADGSA-N
MW300.40 g/mol
LogP1.72
Rot. Bonds2

About (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 134690512) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID134690512
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@@]2(CN(C3CCOC3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2/c1-19-9-8-18(17(19)21)13-20(15-7-10-22-12-15)11-16(18)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3/t15?,16-,18-/m0/s1
InChIKeyKQDQHBMOSKSQHH-YLGOGADGSA-N
XLogP1.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131652109
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124820093
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452819
(5R,9R)-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155850679
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124817310
(5R,9R)-2-methyl-9-phenyl-7-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124821965
4-(oxolan-3-yl)-1-phenylpiperazin-2-one
CID 131900443
8-(furan-2-ylmethyl)-2-methyl-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662088
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
(5S)-2-[(3-methylphenyl)methyl]-7-[(3R)-oxolan-3-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 124521399

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 134690512) is (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@@]2(CN(C3CCOC3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is KQDQHBMOSKSQHH-YLGOGADGSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-9-8-18(17(19)21)13-20(15-7-10-22-12-15)11-16(18)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3/t15?,16-,18-/m0/s1.
What are the key properties of (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 300.40 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 134690512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).