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

Analyze tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-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

tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
CID 133470232
4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 133300889
tert-butyl N-methyl-N-[[4-[3-[4-(pyridin-4-ylmethyl)cyclohexyl]propanoyl]cyclohexyl]methyl]carbamate
CID 149194914
tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
CID 67382235
tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
CID 71988615
tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 133300884
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
CID 51967498
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 118050075

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).