(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C23H26N2O2 — CID 97186506

IUPAC(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)cc1
InChIInChI=1S/C23H26N2O2/c1-17-8-10-19(11-9-17)21(26)25-14-12-23(13-15-25)16-20(22(27)24(23)2)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3/t20-/m1/s1
InChIKeyUNSQFVWJXFXYJY-HXUWFJFHSA-N
MW362.47 g/mol
LogP3.62
Rot. Bonds2

About (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97186506) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97186506
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)cc1
InChIInChI=1S/C23H26N2O2/c1-17-8-10-19(11-9-17)21(26)25-14-12-23(13-15-25)16-20(22(27)24(23)2)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3/t20-/m1/s1
InChIKeyUNSQFVWJXFXYJY-HXUWFJFHSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
(3R)-8-(6-aminopyridine-3-carbonyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97204970
(4R)-2-cyclopropyl-9-(4-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97452334
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
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-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97186506) is (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)cc1.
What is the InChIKey of (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UNSQFVWJXFXYJY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-8-10-19(11-9-17)21(26)25-14-12-23(13-15-25)16-20(22(27)24(23)2)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.47 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97186506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).