[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone

C14H22N4O2 — CID 119881486

IUPAC[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone
SMILESCc1cnn(C2CCCN(C(=O)C3CNCCO3)C2)c1
InChIInChI=1S/C14H22N4O2/c1-11-7-16-18(9-11)12-3-2-5-17(10-12)14(19)13-8-15-4-6-20-13/h7,9,12-13,15H,2-6,8,10H2,1H3
InChIKeyCJWVKTQPOISWFV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.34
Rot. Bonds2

About [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone

[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119881486) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone
PubChem CID119881486
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone
SMILESCc1cnn(C2CCCN(C(=O)C3CNCCO3)C2)c1
InChIInChI=1S/C14H22N4O2/c1-11-7-16-18(9-11)12-3-2-5-17(10-12)14(19)13-8-15-4-6-20-13/h7,9,12-13,15H,2-6,8,10H2,1H3
InChIKeyCJWVKTQPOISWFV-UHFFFAOYSA-N
XLogP0.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone (CID 119881486) is [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone is Cc1cnn(C2CCCN(C(=O)C3CNCCO3)C2)c1.
What is the InChIKey of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is CJWVKTQPOISWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-7-16-18(9-11)12-3-2-5-17(10-12)14(19)13-8-15-4-6-20-13/h7,9,12-13,15H,2-6,8,10H2,1H3.
What are the key properties of [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone?
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 278.36 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrazol-1-yl)piperidin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119881486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).