1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone

C16H19Cl2N3O2 — CID 55900630

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H19Cl2N3O2/c17-12-7-13(18)9-14(8-12)19-10-15(22)20-3-5-21(6-4-20)16(23)11-1-2-11/h7-9,11,19H,1-6,10H2
InChIKeyRRVLPSJZOCBMSH-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.49
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone (PubChem CID 55900630) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone
PubChem CID55900630
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H19Cl2N3O2/c17-12-7-13(18)9-14(8-12)19-10-15(22)20-3-5-21(6-4-20)16(23)11-1-2-11/h7-9,11,19H,1-6,10H2
InChIKeyRRVLPSJZOCBMSH-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone (CID 55900630) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone is O=C(CNc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone?
The InChIKey is RRVLPSJZOCBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-12-7-13(18)9-14(8-12)19-10-15(22)20-3-5-21(6-4-20)16(23)11-1-2-11/h7-9,11,19H,1-6,10H2.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone has a molecular weight of 356.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone is sourced from PubChem (CID 55900630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).