1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea

C15H17N5O2 — CID 95291015

IUPAC1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea
SMILESO=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H17N5O2/c21-14-12(7-4-9-16-14)17-15(22)18-13-8-10-20(19-13)11-5-2-1-3-6-11/h1-3,5-6,8,10,12H,4,7,9H2,(H,16,21)(H2,17,18,19,22)/t12-/m1/s1
InChIKeyAMXMZQFXPMUQPV-GFCCVEGCSA-N
MW299.33 g/mol
LogP1.27
Rot. Bonds3

About 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea

1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea (PubChem CID 95291015) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea
PubChem CID95291015
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea
SMILESO=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H17N5O2/c21-14-12(7-4-9-16-14)17-15(22)18-13-8-10-20(19-13)11-5-2-1-3-6-11/h1-3,5-6,8,10,12H,4,7,9H2,(H,16,21)(H2,17,18,19,22)/t12-/m1/s1
InChIKeyAMXMZQFXPMUQPV-GFCCVEGCSA-N
XLogP1.27
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea (CID 95291015) is 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea is O=C(Nc1ccn(-c2ccccc2)n1)N[C@@H]1CCCNC1=O.
What is the InChIKey of 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea?
The InChIKey is AMXMZQFXPMUQPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14-12(7-4-9-16-14)17-15(22)18-13-8-10-20(19-13)11-5-2-1-3-6-11/h1-3,5-6,8,10,12H,4,7,9H2,(H,16,21)(H2,17,18,19,22)/t12-/m1/s1.
What are the key properties of 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea?
1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea has a molecular weight of 299.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 95291015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).