1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea

C13H21N5O2 — CID 47200172

IUPAC1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C13H21N5O2/c1-3-18-9-12(8-14-18)16-13(20)15-11-4-6-17(7-5-11)10(2)19/h8-9,11H,3-7H2,1-2H3,(H2,15,16,20)
InChIKeyJQLVBIZXHBTHGB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.04
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea

1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 47200172) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
PubChem CID47200172
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)NC2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C13H21N5O2/c1-3-18-9-12(8-14-18)16-13(20)15-11-4-6-17(7-5-11)10(2)19/h8-9,11H,3-7H2,1-2H3,(H2,15,16,20)
InChIKeyJQLVBIZXHBTHGB-UHFFFAOYSA-N
XLogP1.04
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
2-(1-acetylpiperidin-4-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 92631853
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 84585882
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71994414
2-[4-[(1-acetylpiperidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 43783533
1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
CID 69090436
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]urea
CID 126770316
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea (CID 47200172) is 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea is CCn1cc(NC(=O)NC2CCN(C(C)=O)CC2)cn1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is JQLVBIZXHBTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-18-9-12(8-14-18)16-13(20)15-11-4-6-17(7-5-11)10(2)19/h8-9,11H,3-7H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea?
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 279.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 47200172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).