tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate

C18H30N4O2 — CID 127266921

IUPACtert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate
SMILESCC1CCC(CNC(=O)OC(C)(C)C)N(Cc2ncccn2)C1C
InChIInChI=1S/C18H30N4O2/c1-13-7-8-15(11-21-17(23)24-18(3,4)5)22(14(13)2)12-16-19-9-6-10-20-16/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,21,23)
InChIKeyDDVLYRWZHZUYFE-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate (PubChem CID 127266921) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate
PubChem CID127266921
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate
SMILESCC1CCC(CNC(=O)OC(C)(C)C)N(Cc2ncccn2)C1C
InChIInChI=1S/C18H30N4O2/c1-13-7-8-15(11-21-17(23)24-18(3,4)5)22(14(13)2)12-16-19-9-6-10-20-16/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,21,23)
InChIKeyDDVLYRWZHZUYFE-UHFFFAOYSA-N
XLogP2.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate (CID 127266921) is tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate is CC1CCC(CNC(=O)OC(C)(C)C)N(Cc2ncccn2)C1C.
What is the InChIKey of tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate?
The InChIKey is DDVLYRWZHZUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-7-8-15(11-21-17(23)24-18(3,4)5)22(14(13)2)12-16-19-9-6-10-20-16/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5,6-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 127266921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).