tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate

C15H24N4O3 — CID 71301860

IUPACtert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCOc1nccc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)17-11-6-9-19(10-7-11)12-5-8-16-13(18-12)21-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20)
InChIKeyZOONWCQIRGOCRT-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 71301860) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID71301860
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCOc1nccc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)17-11-6-9-19(10-7-11)12-5-8-16-13(18-12)21-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20)
InChIKeyZOONWCQIRGOCRT-UHFFFAOYSA-N
XLogP1.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate 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

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 126674586
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
tert-butyl N-[(3R)-1-[4-amino-1-(2-methoxypyrimidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-3-yl]carbamate
CID 176961176
tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 67087344
CID 89188344
CID 89188344
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 175640181

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate (CID 71301860) is tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate is COc1nccc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is ZOONWCQIRGOCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)17-11-6-9-19(10-7-11)12-5-8-16-13(18-12)21-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 71301860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).