1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea

C13H21N5O3 — CID 131960916

IUPAC1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea
SMILESCOCCn1cc(CNC(=O)NC2CCCNC2=O)cn1
InChIInChI=1S/C13H21N5O3/c1-21-6-5-18-9-10(8-16-18)7-15-13(20)17-11-3-2-4-14-12(11)19/h8-9,11H,2-7H2,1H3,(H,14,19)(H2,15,17,20)
InChIKeyVHUZJHDKFXPIHT-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.39
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea

1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea (PubChem CID 131960916) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea
PubChem CID131960916
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea
SMILESCOCCn1cc(CNC(=O)NC2CCCNC2=O)cn1
InChIInChI=1S/C13H21N5O3/c1-21-6-5-18-9-10(8-16-18)7-15-13(20)17-11-3-2-4-14-12(11)19/h8-9,11H,2-7H2,1H3,(H,14,19)(H2,15,17,20)
InChIKeyVHUZJHDKFXPIHT-UHFFFAOYSA-N
XLogP-0.39
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea (CID 131960916) is 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea is COCCn1cc(CNC(=O)NC2CCCNC2=O)cn1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea?
The InChIKey is VHUZJHDKFXPIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-21-6-5-18-9-10(8-16-18)7-15-13(20)17-11-3-2-4-14-12(11)19/h8-9,11H,2-7H2,1H3,(H,14,19)(H2,15,17,20).
What are the key properties of 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea?
1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea has a molecular weight of 295.34 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 131960916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).