(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one

C20H23N3O2S — CID 125162169

IUPAC(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCc1nc(C)c(CC(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)s1
InChIInChI=1S/C20H23N3O2S/c1-13-17(26-14(2)21-13)11-18(24)23-10-6-9-20(12-23)15-7-4-5-8-16(15)22(3)19(20)25/h4-5,7-8H,6,9-12H2,1-3H3/t20-/m1/s1
InChIKeyQCOLFYCSSLCBEZ-HXUWFJFHSA-N
MW369.49 g/mol
LogP2.84
Rot. Bonds2

About (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one

(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 125162169) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID125162169
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCc1nc(C)c(CC(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)s1
InChIInChI=1S/C20H23N3O2S/c1-13-17(26-14(2)21-13)11-18(24)23-10-6-9-20(12-23)15-7-4-5-8-16(15)22(3)19(20)25/h4-5,7-8H,6,9-12H2,1-3H3/t20-/m1/s1
InChIKeyQCOLFYCSSLCBEZ-HXUWFJFHSA-N
XLogP2.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
CID 95718613
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 171906991
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 95725341
(3S)-1-methyl-1'-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 126436971

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 125162169) is (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one is Cc1nc(C)c(CC(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)s1.
What is the InChIKey of (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is QCOLFYCSSLCBEZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-17(26-14(2)21-13)11-18(24)23-10-6-9-20(12-23)15-7-4-5-8-16(15)22(3)19(20)25/h4-5,7-8H,6,9-12H2,1-3H3/t20-/m1/s1.
What are the key properties of (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 369.49 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 125162169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).