(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C22H27N3O3 — CID 97208590

IUPAC(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(-c2ccccc2)o1
InChIInChI=1S/C22H27N3O3/c1-16-14-18(20(28-16)17-6-4-3-5-7-17)21(27)25-13-12-24(2)22(15-25)9-8-19(26)23-11-10-22/h3-7,14H,8-13,15H2,1-2H3,(H,23,26)/t22-/m1/s1
InChIKeyKYCVUUGLOSWXNF-JOCHJYFZSA-N
MW381.48 g/mol
LogP2.68
Rot. Bonds2

About (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97208590) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97208590
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(-c2ccccc2)o1
InChIInChI=1S/C22H27N3O3/c1-16-14-18(20(28-16)17-6-4-3-5-7-17)21(27)25-13-12-24(2)22(15-25)9-8-19(26)23-11-10-22/h3-7,14H,8-13,15H2,1-2H3,(H,23,26)/t22-/m1/s1
InChIKeyKYCVUUGLOSWXNF-JOCHJYFZSA-N
XLogP2.68
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
(6R)-4-(2,6-dimethoxypyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203552
1-methyl-4-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72888404
(6S)-1-methyl-4-(pyrrolidine-1-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97197677
(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97119506
4-(3-fluoro-4-methoxybenzoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72873562
(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286170
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72923202
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
(6S)-4-(2-cyclopentylacetyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132445

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97208590) is (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1cc(C(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(-c2ccccc2)o1.
What is the InChIKey of (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is KYCVUUGLOSWXNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-14-18(20(28-16)17-6-4-3-5-7-17)21(27)25-13-12-24(2)22(15-25)9-8-19(26)23-11-10-22/h3-7,14H,8-13,15H2,1-2H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 381.48 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97208590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).