tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

C23H29N3O5 — CID 69051857

IUPACtert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1
InChIInChI=1S/C23H29N3O5/c1-23(2,3)31-22(28)26-11-9-16(10-12-26)15-30-21-24-13-19(14-25-21)17-5-7-18(8-6-17)20(27)29-4/h5-8,13-14,16H,9-12,15H2,1-4H3
InChIKeyGGULWRGQACLEJR-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 69051857) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID69051857
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Nametert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1
InChIInChI=1S/C23H29N3O5/c1-23(2,3)31-22(28)26-11-9-16(10-12-26)15-30-21-24-13-19(14-25-21)17-5-7-18(8-6-17)20(27)29-4/h5-8,13-14,16H,9-12,15H2,1-4H3
InChIKeyGGULWRGQACLEJR-UHFFFAOYSA-N
XLogP3.96
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 25103232
tert-butyl (3S)-3-[(5-chloropyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97171281
tert-butyl 4-[[4-[4-[(4-methoxycarbonylphenyl)carbamoyl]-2-pyridinyl]phenoxy]methyl]piperidine-1-carboxylate
CID 175160801
tert-butyl 4-[4-(4-methoxycarbonylphenyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 139989206
4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050390
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
4-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050918
CID 163539219
CID 163539219
tert-butyl 4-[[2-(3-ethylphenyl)pyrimidin-5-yl]oxymethyl]piperidine-1-carboxylate
CID 161495290
tert-butyl 4-[2-(5-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 71630074
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate (CID 69051857) is tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate is COC(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1.
What is the InChIKey of tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is GGULWRGQACLEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-23(2,3)31-22(28)26-11-9-16(10-12-26)15-30-21-24-13-19(14-25-21)17-5-7-18(8-6-17)20(27)29-4/h5-8,13-14,16H,9-12,15H2,1-4H3.
What are the key properties of tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 69051857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).