1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one

C20H22N4O — CID 56906016

IUPAC1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(c3ncnc4c3CCC4)CC2)c2ccccc21
InChIInChI=1S/C20H22N4O/c1-23-17-8-3-2-6-15(17)20(19(23)25)9-11-24(12-10-20)18-14-5-4-7-16(14)21-13-22-18/h2-3,6,8,13H,4-5,7,9-12H2,1H3
InChIKeyAPJHAUNHJMJICX-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.48
Rot. Bonds1

About 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 56906016) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID56906016
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(c3ncnc4c3CCC4)CC2)c2ccccc21
InChIInChI=1S/C20H22N4O/c1-23-17-8-3-2-6-15(17)20(19(23)25)9-11-24(12-10-20)18-14-5-4-7-16(14)21-13-22-18/h2-3,6,8,13H,4-5,7,9-12H2,1H3
InChIKeyAPJHAUNHJMJICX-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
1'-furo[3,2-c]pyridin-4-yl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56918431
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-4-carboximidamide
CID 107162197
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56754374
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide
CID 56899725
(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 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 56906016) is 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(c3ncnc4c3CCC4)CC2)c2ccccc21.
What is the InChIKey of 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is APJHAUNHJMJICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-17-8-3-2-6-15(17)20(19(23)25)9-11-24(12-10-20)18-14-5-4-7-16(14)21-13-22-18/h2-3,6,8,13H,4-5,7,9-12H2,1H3.
What are the key properties of 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56906016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).