tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate

C16H26N4O2 — CID 66805336

IUPACtert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
SMILESCN(CC1CCN(c2ccncn2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19(4)11-13-6-9-20(10-7-13)14-5-8-17-12-18-14/h5,8,12-13H,6-7,9-11H2,1-4H3
InChIKeyWSFQTRCZAQAVGE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.56
Rot. Bonds3

About tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate

tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate (PubChem CID 66805336) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
PubChem CID66805336
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
SMILESCN(CC1CCN(c2ccncn2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19(4)11-13-6-9-20(10-7-13)14-5-8-17-12-18-14/h5,8,12-13H,6-7,9-11H2,1-4H3
InChIKeyWSFQTRCZAQAVGE-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate (CID 66805336) is tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate is CN(CC1CCN(c2ccncn2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate?
The InChIKey is WSFQTRCZAQAVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)19(4)11-13-6-9-20(10-7-13)14-5-8-17-12-18-14/h5,8,12-13H,6-7,9-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 66805336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).