cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone

C15H17IN2O2 — CID 46564727

IUPACcyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1I)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H17IN2O2/c16-13-4-2-1-3-12(13)15(20)18-9-7-17(8-10-18)14(19)11-5-6-11/h1-4,11H,5-10H2
InChIKeyIMJYHJZHCANMJB-UHFFFAOYSA-N
MW384.22 g/mol
LogP1.99
Rot. Bonds2

About cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone (PubChem CID 46564727) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
PubChem CID46564727
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC Namecyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1I)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H17IN2O2/c16-13-4-2-1-3-12(13)15(20)18-9-7-17(8-10-18)14(19)11-5-6-11/h1-4,11H,5-10H2
InChIKeyIMJYHJZHCANMJB-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
CID 61400654
2-[4-(2-iodobenzoyl)piperazin-1-yl]acetic acid
CID 43521566
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone (CID 46564727) is cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone is O=C(c1ccccc1I)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone?
The InChIKey is IMJYHJZHCANMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c16-13-4-2-1-3-12(13)15(20)18-9-7-17(8-10-18)14(19)11-5-6-11/h1-4,11H,5-10H2.
What are the key properties of cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone has a molecular weight of 384.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46564727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).