(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one

C22H25N3O2 — CID 97195631

IUPAC(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1cccnc1)CC2
InChIInChI=1S/C22H25N3O2/c1-24-21(27)19(18-7-3-2-4-8-18)15-22(24)9-12-25(13-10-22)20(26)14-17-6-5-11-23-16-17/h2-8,11,16,19H,9-10,12-15H2,1H3/t19-/m1/s1
InChIKeyGRWRZRBKIPMHLN-LJQANCHMSA-N
MW363.46 g/mol
LogP2.63
Rot. Bonds3

About (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97195631) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97195631
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1cccnc1)CC2
InChIInChI=1S/C22H25N3O2/c1-24-21(27)19(18-7-3-2-4-8-18)15-22(24)9-12-25(13-10-22)20(26)14-17-6-5-11-23-16-17/h2-8,11,16,19H,9-10,12-15H2,1H3/t19-/m1/s1
InChIKeyGRWRZRBKIPMHLN-LJQANCHMSA-N
XLogP2.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469570
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118739746
(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469573
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97195631) is (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1cccnc1)CC2.
What is the InChIKey of (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GRWRZRBKIPMHLN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-21(27)19(18-7-3-2-4-8-18)15-22(24)9-12-25(13-10-22)20(26)14-17-6-5-11-23-16-17/h2-8,11,16,19H,9-10,12-15H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97195631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).