1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea

C14H25N5O — CID 47480763

IUPAC1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCN1CCCC(CNC(=O)Nc2cnn(CC)c2)C1
InChIInChI=1S/C14H25N5O/c1-3-18-7-5-6-12(10-18)8-15-14(20)17-13-9-16-19(4-2)11-13/h9,11-12H,3-8,10H2,1-2H3,(H2,15,17,20)
InChIKeyKTOFJCSTXGUKOJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.76
Rot. Bonds5

About 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea

1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 47480763) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea
PubChem CID47480763
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea
SMILESCCN1CCCC(CNC(=O)Nc2cnn(CC)c2)C1
InChIInChI=1S/C14H25N5O/c1-3-18-7-5-6-12(10-18)8-15-14(20)17-13-9-16-19(4-2)11-13/h9,11-12H,3-8,10H2,1-2H3,(H2,15,17,20)
InChIKeyKTOFJCSTXGUKOJ-UHFFFAOYSA-N
XLogP1.76
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea (CID 47480763) is 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea is CCN1CCCC(CNC(=O)Nc2cnn(CC)c2)C1.
What is the InChIKey of 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is KTOFJCSTXGUKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-18-7-5-6-12(10-18)8-15-14(20)17-13-9-16-19(4-2)11-13/h9,11-12H,3-8,10H2,1-2H3,(H2,15,17,20).
What are the key properties of 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea?
1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 279.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 47480763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).