4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one

C19H19N3O2 — CID 127881306

IUPAC4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one
SMILESO=C(c1cccnc1C1CC1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H19N3O2/c23-17-13-21(11-12-22(17)15-5-2-1-3-6-15)19(24)16-7-4-10-20-18(16)14-8-9-14/h1-7,10,14H,8-9,11-13H2
InChIKeyMLXKPYKICOHPFL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds3

About 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one

4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one (PubChem CID 127881306) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one
PubChem CID127881306
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one
SMILESO=C(c1cccnc1C1CC1)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H19N3O2/c23-17-13-21(11-12-22(17)15-5-2-1-3-6-15)19(24)16-7-4-10-20-18(16)14-8-9-14/h1-7,10,14H,8-9,11-13H2
InChIKeyMLXKPYKICOHPFL-UHFFFAOYSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one?
The IUPAC name of 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one (CID 127881306) is 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one?
The canonical SMILES for 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one is O=C(c1cccnc1C1CC1)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one?
The InChIKey is MLXKPYKICOHPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17-13-21(11-12-22(17)15-5-2-1-3-6-15)19(24)16-7-4-10-20-18(16)14-8-9-14/h1-7,10,14H,8-9,11-13H2.
What are the key properties of 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one?
4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one is sourced from PubChem (CID 127881306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).