[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone

C14H21N5O3 — CID 26034925

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccnc(N2CCN(C(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C14H21N5O3/c1-21-12-2-3-15-13(16-12)17-4-6-18(7-5-17)14(20)19-8-10-22-11-9-19/h2-3H,4-11H2,1H3
InChIKeyIIGWQAZCZJWCNO-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.06
Rot. Bonds2

About [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 26034925) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID26034925
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccnc(N2CCN(C(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C14H21N5O3/c1-21-12-2-3-15-13(16-12)17-4-6-18(7-5-17)14(20)19-8-10-22-11-9-19/h2-3H,4-11H2,1H3
InChIKeyIIGWQAZCZJWCNO-UHFFFAOYSA-N
XLogP0.06
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 26034925) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone is COc1ccnc(N2CCN(C(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is IIGWQAZCZJWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-21-12-2-3-15-13(16-12)17-4-6-18(7-5-17)14(20)19-8-10-22-11-9-19/h2-3H,4-11H2,1H3.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 307.35 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26034925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).