tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate

C18H28N4O4 — CID 58313000

IUPACtert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCOc1cc(C(C)=O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H28N4O4/c1-12(23)14-10-15(25-5)21-16(20-14)22-8-6-13(7-9-22)11-19-17(24)26-18(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyOFEIABOFEVMHGQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 58313000) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
PubChem CID58313000
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Nametert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCOc1cc(C(C)=O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H28N4O4/c1-12(23)14-10-15(25-5)21-16(20-14)22-8-6-13(7-9-22)11-19-17(24)26-18(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyOFEIABOFEVMHGQ-UHFFFAOYSA-N
XLogP2.43
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]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

Methyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 70935605
tert-butyl N-[[1-[4-formyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperidin-4-yl]methyl]carbamate
CID 89115023
9-[(2,6-Dimethoxypyrimidin-4-yl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56743487
tert-butyl N-[[1-(4-formyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
CID 58312762
Methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
CID 67209275
[1-(4-Formyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methylcarbamic acid
CID 87310824
Tert-butyl-[[1-(4-formyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamic acid
CID 89077796
6-Methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 123260480
2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide
CID 56701847
2,6-dimethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-4-carboxamide
CID 95189455
2,6-dimethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidine-4-carboxamide
CID 95189456

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate (CID 58313000) is tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate is COc1cc(C(C)=O)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is OFEIABOFEVMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-12(23)14-10-15(25-5)21-16(20-14)22-8-6-13(7-9-22)11-19-17(24)26-18(2,3)4/h10,13H,6-9,11H2,1-5H3,(H,19,24).
What are the key properties of tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 364.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-acetyl-6-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 58313000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).