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

C24H30N4O — CID 58172366

IUPAC1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one
SMILESCCC(=O)Cc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2c1[C@H](C)CC2
InChIInChI=1S/C24H30N4O/c1-3-18(29)12-17-5-7-21-19(13-17)24(8-10-25-11-9-24)14-28(21)23-22-16(2)4-6-20(22)26-15-27-23/h5,7,13,15-16,25H,3-4,6,8-12,14H2,1-2H3/t16-/m1/s1
InChIKeyUIMCTTDPOHDORF-MRXNPFEDSA-N
MW390.53 g/mol
LogP3.82
Rot. Bonds4

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

1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one (PubChem CID 58172366) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one.

Molecular Properties

Compound Name1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one
PubChem CID58172366
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one
SMILESCCC(=O)Cc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2c1[C@H](C)CC2
InChIInChI=1S/C24H30N4O/c1-3-18(29)12-17-5-7-21-19(13-17)24(8-10-25-11-9-24)14-28(21)23-22-16(2)4-6-20(22)26-15-27-23/h5,7,13,15-16,25H,3-4,6,8-12,14H2,1-2H3/t16-/m1/s1
InChIKeyUIMCTTDPOHDORF-MRXNPFEDSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one?
The IUPAC name of 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one (CID 58172366) is 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one.
What is the SMILES notation for 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one?
The canonical SMILES for 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one is CCC(=O)Cc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2c1[C@H](C)CC2.
What is the InChIKey of 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one?
The InChIKey is UIMCTTDPOHDORF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-18(29)12-17-5-7-21-19(13-17)24(8-10-25-11-9-24)14-28(21)23-22-16(2)4-6-20(22)26-15-27-23/h5,7,13,15-16,25H,3-4,6,8-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one?
1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one has a molecular weight of 390.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-5-yl]butan-2-one is sourced from PubChem (CID 58172366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).