[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid

C12H18N4O3 — CID 135365041

IUPAC[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCOc1ccnc(N2CCC(N(C)C(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O3/c1-15(12(17)18)9-4-7-16(8-5-9)11-13-6-3-10(14-11)19-2/h3,6,9H,4-5,7-8H2,1-2H3,(H,17,18)
InChIKeyAJSKFBLSVBILEE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds3

About [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid

[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid (PubChem CID 135365041) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid
PubChem CID135365041
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCOc1ccnc(N2CCC(N(C)C(=O)O)CC2)n1
InChIInChI=1S/C12H18N4O3/c1-15(12(17)18)9-4-7-16(8-5-9)11-13-6-3-10(14-11)19-2/h3,6,9H,4-5,7-8H2,1-2H3,(H,17,18)
InChIKeyAJSKFBLSVBILEE-UHFFFAOYSA-N
XLogP1.06
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 16228258
[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 26034925
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
1-[2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 53511842
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
tert-butyl (3S)-3-pyrimidin-4-yloxypiperidine-1-carboxylate
CID 93533098
4-methoxy-N-(piperidin-4-yl)pyrimidin-2-amine
CID 43607806
Tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 8852576
N-cyclopentyl-4-methoxy-N-methylpyrimidin-2-amine
CID 40087175
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone
CID 47340567
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid (CID 135365041) is [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid is COc1ccnc(N2CCC(N(C)C(=O)O)CC2)n1.
What is the InChIKey of [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid?
The InChIKey is AJSKFBLSVBILEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15(12(17)18)9-4-7-16(8-5-9)11-13-6-3-10(14-11)19-2/h3,6,9H,4-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid?
[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid has a molecular weight of 266.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 135365041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).