5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one

C19H24ClN3O2 — CID 24817824

IUPAC5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CC2)C1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H24ClN3O2/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)19(25)14-5-8-18(24)23(13-14)15-6-7-15/h1-4,14-15H,5-13H2
InChIKeyVKNAYLLMRVKYDZ-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.39
Rot. Bonds3

About 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one

5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one (PubChem CID 24817824) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
PubChem CID24817824
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CC2)C1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H24ClN3O2/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)19(25)14-5-8-18(24)23(13-14)15-6-7-15/h1-4,14-15H,5-13H2
InChIKeyVKNAYLLMRVKYDZ-UHFFFAOYSA-N
XLogP2.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one (CID 24817824) is 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one is O=C(C1CCC(=O)N(C2CC2)C1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one?
The InChIKey is VKNAYLLMRVKYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)19(25)14-5-8-18(24)23(13-14)15-6-7-15/h1-4,14-15H,5-13H2.
What are the key properties of 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one?
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one has a molecular weight of 361.87 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one is sourced from PubChem (CID 24817824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).