(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate

C12H18N4O2 — CID 178146899

IUPAC(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate
SMILESCc1nccc(NC(=O)OC2CCN(C)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-13-6-3-11(14-9)15-12(17)18-10-4-7-16(2)8-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,14,15,17)
InChIKeyXTKGRMOPGRHNMY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.43
Rot. Bonds2

About (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate

(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate (PubChem CID 178146899) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate
PubChem CID178146899
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate
SMILESCc1nccc(NC(=O)OC2CCN(C)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9-13-6-3-11(14-9)15-12(17)18-10-4-7-16(2)8-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,14,15,17)
InChIKeyXTKGRMOPGRHNMY-UHFFFAOYSA-N
XLogP1.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
(1-methylpiperidin-4-yl) N-[2-[(3S,4R)-4-fluoro-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147358
(1-methylpiperidin-4-yl) N-[2-[(3S)-4,4-difluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178146908
[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate
CID 161060422
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide
CID 167863033
cyclobutyl N-(6-bromo-2-pyridinyl)carbamate
CID 130640494
N-(2-methylpyrimidin-4-yl)-4-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 166236139

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate (CID 178146899) is (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate is Cc1nccc(NC(=O)OC2CCN(C)CC2)n1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate?
The InChIKey is XTKGRMOPGRHNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-13-6-3-11(14-9)15-12(17)18-10-4-7-16(2)8-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,14,15,17).
What are the key properties of (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate?
(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate is sourced from PubChem (CID 178146899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).