1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one

C22H26N4O2 — CID 56909632

IUPAC1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C22H26N4O2/c1-14(2)19-23-12-16(15(3)24-19)20(27)26-11-7-10-22(13-26)17-8-5-6-9-18(17)25(4)21(22)28/h5-6,8-9,12,14H,7,10-11,13H2,1-4H3
InChIKeyFXYFDCUAXWLTJL-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.06
Rot. Bonds2

About 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one

1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one (PubChem CID 56909632) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
PubChem CID56909632
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C22H26N4O2/c1-14(2)19-23-12-16(15(3)24-19)20(27)26-11-7-10-22(13-26)17-8-5-6-9-18(17)25(4)21(22)28/h5-6,8-9,12,14H,7,10-11,13H2,1-4H3
InChIKeyFXYFDCUAXWLTJL-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-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

1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 56915501
1-methyl-1'-(2-oxochromene-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 171906991
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
1-methyl-1'-(5-oxo-1,2-dihydropyrazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56894304
(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 125162169
(3S)-1-methyl-1'-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 126436971
1'-(4-ethylthiadiazole-5-carbonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56889274
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 50957957
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
(3S)-1-methyl-1'-(4H-thieno[3,2-b]pyrrole-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 95725341

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one (CID 56909632) is 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one is Cc1nc(C(C)C)ncc1C(=O)N1CCCC2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is FXYFDCUAXWLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)19-23-12-16(15(3)24-19)20(27)26-11-7-10-22(13-26)17-8-5-6-9-18(17)25(4)21(22)28/h5-6,8-9,12,14H,7,10-11,13H2,1-4H3.
What are the key properties of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one?
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56909632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).