tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate

C18H27N3O3 — CID 67438470

IUPACtert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](O)c2ncnc(C3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C18H27N3O3/c1-11-9-13(22)16-14(11)15(19-10-20-16)12-5-7-21(8-6-12)17(23)24-18(2,3)4/h10-13,22H,5-9H2,1-4H3/t11-,13-/m1/s1
InChIKeyAZINPFQZOQIUHI-DGCLKSJQSA-N
MW333.43 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 67438470) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID67438470
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](O)c2ncnc(C3CCN(C(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C18H27N3O3/c1-11-9-13(22)16-14(11)15(19-10-20-16)12-5-7-21(8-6-12)17(23)24-18(2,3)4/h10-13,22H,5-9H2,1-4H3/t11-,13-/m1/s1
InChIKeyAZINPFQZOQIUHI-DGCLKSJQSA-N
XLogP3.13
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(5R)-7-acetyloxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 59580360
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-acetyloxy-5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 59505097
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]piperidine-1-carboxylate
CID 177197713
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate (CID 67438470) is tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate is C[C@@H]1C[C@@H](O)c2ncnc(C3CCN(C(=O)OC(C)(C)C)CC3)c21.
What is the InChIKey of tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is AZINPFQZOQIUHI-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11-9-13(22)16-14(11)15(19-10-20-16)12-5-7-21(8-6-12)17(23)24-18(2,3)4/h10-13,22H,5-9H2,1-4H3/t11-,13-/m1/s1.
What are the key properties of tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67438470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).