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

C22H26N4O2 — CID 56915501

IUPAC1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C22H26N4O2/c1-14(2)19-23-13-16(15(3)24-19)20(27)26-11-9-22(10-12-26)17-7-5-6-8-18(17)25(4)21(22)28/h5-8,13-14H,9-12H2,1-4H3
InChIKeyRFXXPKMLKBXNGF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.06
Rot. Bonds2

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

1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 56915501) 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-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID56915501
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C22H26N4O2/c1-14(2)19-23-13-16(15(3)24-19)20(27)26-11-9-22(10-12-26)17-7-5-6-8-18(17)25(4)21(22)28/h5-8,13-14H,9-12H2,1-4H3
InChIKeyRFXXPKMLKBXNGF-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

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Related Compounds

1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 50957957
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 110875643

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 56915501) is 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one is Cc1nc(C(C)C)ncc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RFXXPKMLKBXNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)19-23-13-16(15(3)24-19)20(27)26-11-9-22(10-12-26)17-7-5-6-8-18(17)25(4)21(22)28/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-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-3,4'-piperidine]-2-one is sourced from PubChem (CID 56915501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).