propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C23H36N4O4 — CID 58484449

IUPACpropan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(CC3CC3)CC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C23H36N4O4/c1-16(2)29-23(28)27-12-8-20(9-13-27)31-22-17(3)21(24-15-25-22)30-19-6-10-26(11-7-19)14-18-4-5-18/h15-16,18-20H,4-14H2,1-3H3
InChIKeyHXRVGSSUAQSTBF-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.43
Rot. Bonds7

About propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 58484449) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID58484449
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Namepropan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(OC2CCN(CC3CC3)CC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C23H36N4O4/c1-16(2)29-23(28)27-12-8-20(9-13-27)31-22-17(3)21(24-15-25-22)30-19-6-10-26(11-7-19)14-18-4-5-18/h15-16,18-20H,4-14H2,1-3H3
InChIKeyHXRVGSSUAQSTBF-UHFFFAOYSA-N
XLogP3.43
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
(1-Methylcyclopropyl) 9-(6-cyclohexyloxy-5-fluoropyrimidin-4-yl)oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 71000940
(1-Methylcyclopropyl) 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 72327722
(1-methylcyclopropyl) (4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 87289460
tert-butyl 4-[5-fluoro-6-[(3S)-4-methyl-2-[[methyl-(1-methylcyclopropyl)oxycarbonylamino]methyl]oxolan-3-yl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 122447847
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-[(3-fluoro-1-hydroxy-2H-pyridin-4-yl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 149977992

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 58484449) is propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(OC2CCN(CC3CC3)CC2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is HXRVGSSUAQSTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-16(2)29-23(28)27-12-8-20(9-13-27)31-22-17(3)21(24-15-25-22)30-19-6-10-26(11-7-19)14-18-4-5-18/h15-16,18-20H,4-14H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 432.57 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 58484449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).