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

C21H26N4 — CID 163660955

IUPAC(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]
SMILESCc1ccc2c(c1)[C@@]1(CCCNC1)CN2c1ncnc2c1[C@H](C)CC2
InChIInChI=1S/C21H26N4/c1-14-4-7-18-16(10-14)21(8-3-9-22-11-21)12-25(18)20-19-15(2)5-6-17(19)23-13-24-20/h4,7,10,13,15,22H,3,5-6,8-9,11-12H2,1-2H3/t15-,21-/m1/s1
InChIKeyIUIOSRAXWYMSPD-QVKFZJNVSA-N
MW334.47 g/mol
LogP3.61
Rot. Bonds1

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

(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine] (PubChem CID 163660955) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine].

Molecular Properties

Compound Name(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]
PubChem CID163660955
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]
SMILESCc1ccc2c(c1)[C@@]1(CCCNC1)CN2c1ncnc2c1[C@H](C)CC2
InChIInChI=1S/C21H26N4/c1-14-4-7-18-16(10-14)21(8-3-9-22-11-21)12-25(18)20-19-15(2)5-6-17(19)23-13-24-20/h4,7,10,13,15,22H,3,5-6,8-9,11-12H2,1-2H3/t15-,21-/m1/s1
InChIKeyIUIOSRAXWYMSPD-QVKFZJNVSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]
CID 143833545
2-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-5-yl]acetamide
CID 68735066
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
2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol
CID 68734976
2-[1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,4'-piperidine]-5-yl]acetic acid
CID 68762168
(5R)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 67339039
N-cyclohexyl-2-[4-methyl-6-(5-methylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]iminopropanamide
CID 166712327
2-[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-5-yl]acetamide;dihydrochloride
CID 68734151
[3-(4-chlorophenyl)pyrrolidin-3-yl]-[4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 67338553
1,5-dimethylspiro[2H-indole-3,4'-piperidine]
CID 59466294
(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]
CID 58172354
tert-butyl 4-[(2-hydroxyethylamino)methyl]-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 68759171

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]?
The IUPAC name of (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine] (CID 163660955) is (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine].
What is the SMILES notation for (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]?
The canonical SMILES for (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine] is Cc1ccc2c(c1)[C@@]1(CCCNC1)CN2c1ncnc2c1[C@H](C)CC2.
What is the InChIKey of (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]?
The InChIKey is IUIOSRAXWYMSPD-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H26N4/c1-14-4-7-18-16(10-14)21(8-3-9-22-11-21)12-25(18)20-19-15(2)5-6-17(19)23-13-24-20/h4,7,10,13,15,22H,3,5-6,8-9,11-12H2,1-2H3/t15-,21-/m1/s1.
What are the key properties of (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine]?
(3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine] has a molecular weight of 334.47 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-1-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[2H-indole-3,3'-piperidine] is sourced from PubChem (CID 163660955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).