tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate

C17H28N4O3 — CID 126850102

IUPACtert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
SMILESCOCCc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O3/c1-17(2,3)24-16(22)20-13-5-8-21(9-6-13)15-11-14(7-10-23-4)18-12-19-15/h11-13H,5-10H2,1-4H3,(H,20,22)
InChIKeyXYSMGCMNVPEERN-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.16
Rot. Bonds5

About tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate (PubChem CID 126850102) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
PubChem CID126850102
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
SMILESCOCCc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O3/c1-17(2,3)24-16(22)20-13-5-8-21(9-6-13)15-11-14(7-10-23-4)18-12-19-15/h11-13H,5-10H2,1-4H3,(H,20,22)
InChIKeyXYSMGCMNVPEERN-UHFFFAOYSA-N
XLogP2.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126849680
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-[1-(4-butoxy-6-chloro-2-pyridinyl)piperidin-4-yl]carbamate
CID 177282726
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
CID 143371287
tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
CID 86709788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate (CID 126850102) is tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate is COCCc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
The InChIKey is XYSMGCMNVPEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2,3)24-16(22)20-13-5-8-21(9-6-13)15-11-14(7-10-23-4)18-12-19-15/h11-13H,5-10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 336.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 126850102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).