1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one

C21H27N5O — CID 56885365

IUPAC1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
SMILESCCCNc1ncc(CN2CCCC3(C2)C(=O)N(C)c2ccccc23)cn1
InChIInChI=1S/C21H27N5O/c1-3-10-22-20-23-12-16(13-24-20)14-26-11-6-9-21(15-26)17-7-4-5-8-18(17)25(2)19(21)27/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3,(H,22,23,24)
InChIKeyXRVKZPBLVMOYKB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.81
Rot. Bonds5

About 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one

1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one (PubChem CID 56885365) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
PubChem CID56885365
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
SMILESCCCNc1ncc(CN2CCCC3(C2)C(=O)N(C)c2ccccc23)cn1
InChIInChI=1S/C21H27N5O/c1-3-10-22-20-23-12-16(13-24-20)14-26-11-6-9-21(15-26)17-7-4-5-8-18(17)25(2)19(21)27/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3,(H,22,23,24)
InChIKeyXRVKZPBLVMOYKB-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]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'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56884127
2-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]benzonitrile
CID 95711129
1-methyl-1'-(2-methyl-2-morpholin-4-ylpropyl)spiro[indole-3,3'-piperidine]-2-one
CID 56895106
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95725294
N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
CID 134795564
ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
CID 95710662
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 95199024
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
CID 95203310

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one (CID 56885365) is 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one is CCCNc1ncc(CN2CCCC3(C2)C(=O)N(C)c2ccccc23)cn1.
What is the InChIKey of 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one?
The InChIKey is XRVKZPBLVMOYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-10-22-20-23-12-16(13-24-20)14-26-11-6-9-21(15-26)17-7-4-5-8-18(17)25(2)19(21)27/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3,(H,22,23,24).
What are the key properties of 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one?
1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56885365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).