1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one

C20H26N4O — CID 56902357

IUPAC1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cnn(CCCN2CCC3(CC2)C(=O)N(C)c2ccccc23)c1
InChIInChI=1S/C20H26N4O/c1-16-14-21-24(15-16)11-5-10-23-12-8-20(9-13-23)17-6-3-4-7-18(17)22(2)19(20)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3
InChIKeyPJPOCMATXZNGTH-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.59
Rot. Bonds4

About 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 56902357) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID56902357
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cnn(CCCN2CCC3(CC2)C(=O)N(C)c2ccccc23)c1
InChIInChI=1S/C20H26N4O/c1-16-14-21-24(15-16)11-5-10-23-12-8-20(9-13-23)17-6-3-4-7-18(17)22(2)19(20)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3
InChIKeyPJPOCMATXZNGTH-UHFFFAOYSA-N
XLogP2.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propyl]-5,5-bis(4-methylphenyl)imidazolidine-2,4-dione
CID 18435783
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-[4-(3,4-dimethoxyphenyl)-4-oxobutyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70592114
1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 110875643
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
CID 69266254
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
2-[4-[[1-methyl-2-oxo-5-(trifluoromethyl)spiro[indole-3,4'-piperidine]-1'-yl]methyl]pyrazol-1-yl]ethyl-oxosulfanium
CID 174100380
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one (CID 56902357) is 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one is Cc1cnn(CCCN2CCC3(CC2)C(=O)N(C)c2ccccc23)c1.
What is the InChIKey of 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is PJPOCMATXZNGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-14-21-24(15-16)11-5-10-23-12-8-20(9-13-23)17-6-3-4-7-18(17)22(2)19(20)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3.
What are the key properties of 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 338.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[3-(4-methylpyrazol-1-yl)propyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56902357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).