(1-pyrimidin-4-ylpiperidin-4-yl) carbamate

C10H14N4O2 — CID 118050075

IUPAC(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H14N4O2/c11-10(15)16-8-2-5-14(6-3-8)9-1-4-12-7-13-9/h1,4,7-8H,2-3,5-6H2,(H2,11,15)
InChIKeyJLWYBMHNFDOPCJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.54
Rot. Bonds2

About (1-pyrimidin-4-ylpiperidin-4-yl) carbamate

(1-pyrimidin-4-ylpiperidin-4-yl) carbamate (PubChem CID 118050075) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (1-pyrimidin-4-ylpiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
PubChem CID118050075
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCN(c2ccncn2)CC1
InChIInChI=1S/C10H14N4O2/c11-10(15)16-8-2-5-14(6-3-8)9-1-4-12-7-13-9/h1,4,7-8H,2-3,5-6H2,(H2,11,15)
InChIKeyJLWYBMHNFDOPCJ-UHFFFAOYSA-N
XLogP0.54
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
(1-pyrimidin-4-ylpiperidin-4-yl) 3-ethylpyridine-4-carboxylate
CID 86789991
[1-(2-amino-4-pyridinyl)piperidin-4-yl] carbamate
CID 175111537
5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 126899644
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830
[1-(6-nitro-3-pyridinyl)piperidin-4-yl] carbamate
CID 139390117
2-methyl-6-(1-pyrimidin-4-ylpiperidin-4-yl)oxypyrazine
CID 171701885
6-[[(4S)-1-pyrimidin-4-ylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124989944
(1-furo[2,3-d]pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 175570072
4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
CID 66805336

Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-4-ylpiperidin-4-yl) carbamate?
The IUPAC name of (1-pyrimidin-4-ylpiperidin-4-yl) carbamate (CID 118050075) is (1-pyrimidin-4-ylpiperidin-4-yl) carbamate.
What is the SMILES notation for (1-pyrimidin-4-ylpiperidin-4-yl) carbamate?
The canonical SMILES for (1-pyrimidin-4-ylpiperidin-4-yl) carbamate is NC(=O)OC1CCN(c2ccncn2)CC1.
What is the InChIKey of (1-pyrimidin-4-ylpiperidin-4-yl) carbamate?
The InChIKey is JLWYBMHNFDOPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10(15)16-8-2-5-14(6-3-8)9-1-4-12-7-13-9/h1,4,7-8H,2-3,5-6H2,(H2,11,15).
What are the key properties of (1-pyrimidin-4-ylpiperidin-4-yl) carbamate?
(1-pyrimidin-4-ylpiperidin-4-yl) carbamate has a molecular weight of 222.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-4-ylpiperidin-4-yl) carbamate is sourced from PubChem (CID 118050075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).