propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

C24H38N4O6 — CID 58484432

IUPACpropan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H38N4O6/c1-16(2)31-22(29)27-11-7-18(8-12-27)32-20-17(3)21(26-15-25-20)33-19-9-13-28(14-10-19)23(30)34-24(4,5)6/h15-16,18-19H,7-14H2,1-6H3
InChIKeyDGINVLXSAHJWMF-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.95
Rot. Bonds5

About propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 58484432) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID58484432
Molecular FormulaC24H38N4O6
Molecular Weight478.59 g/mol
Exact Mass478.28
IUPAC Namepropan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H38N4O6/c1-16(2)31-22(29)27-11-7-18(8-12-27)32-20-17(3)21(26-15-25-20)33-19-9-13-28(14-10-19)23(30)34-24(4,5)6/h15-16,18-19H,7-14H2,1-6H3
InChIKeyDGINVLXSAHJWMF-UHFFFAOYSA-N
XLogP3.95
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

Propan-2-yl 4-[5-methyl-6-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701214
(1-Methylcyclopropyl) 9-[5-fluoro-6-[1-(2-methylpropanoyl)piperidin-4-yl]oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237760
(1-Methylcyclopropyl) 9-[5-fluoro-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 53237987
Propan-2-yl 4-[5-methyl-6-[1-(trifluoromethylsulfonyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58484450
(3R,4S)-1-methylcyclopropyl 4-(6-chloro-5-methylpyrimidin-4-yloxy)-3-fluoropiperidine-1-carboxylate
CID 59566477
(3R,4S)-tert-butyl 4-(6-chloro-5-methylpyrimidin-4-yloxy)-3-fluoropiperidine-1-carboxylate
CID 59566489
(1-Methylcyclopropyl) 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 72327722
Tert-butyl 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 72327724
(1-methylcyclopropyl) (4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 87289460
Propan-2-yl 4-[5-methyl-6-[1-(2,2,2-trifluoroethylsulfinyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 135219613
Propan-2-yl 4-[5-methyl-6-[1-(2,2,2-trifluoroethylsulfanyl)piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 135219627
propan-2-yl 4-[6-[[4-(2-fluoroethyl)-2-methyl-2H-pyrimidin-1-yl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 140144710

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 58484432) is propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is DGINVLXSAHJWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-16(2)31-22(29)27-11-7-18(8-12-27)32-20-17(3)21(26-15-25-20)33-19-9-13-28(14-10-19)23(30)34-24(4,5)6/h15-16,18-19H,7-14H2,1-6H3.
What are the key properties of propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 478.59 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 58484432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).