2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C18H24IN3O2 — CID 30543126

IUPAC2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2I)CC1)N1CCCCC1
InChIInChI=1S/C18H24IN3O2/c19-16-7-3-2-6-15(16)18(24)22-12-10-20(11-13-22)14-17(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-14H2
InChIKeyZOEKQSCQEADDBT-UHFFFAOYSA-N
MW441.31 g/mol
LogP2.06
Rot. Bonds3

About 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 30543126) has the molecular formula C18H24IN3O2 and a molecular weight of 441.31 g/mol. Its IUPAC name is 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID30543126
Molecular FormulaC18H24IN3O2
Molecular Weight441.31 g/mol
Exact Mass441.09
IUPAC Name2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2I)CC1)N1CCCCC1
InChIInChI=1S/C18H24IN3O2/c19-16-7-3-2-6-15(16)18(24)22-12-10-20(11-13-22)14-17(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-14H2
InChIKeyZOEKQSCQEADDBT-UHFFFAOYSA-N
XLogP2.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
2-[4-(2-iodobenzoyl)piperazin-1-yl]acetic acid
CID 43521566
N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 34725182
2-piperidin-1-yl-1-[4-(2-propylbenzoyl)piperazin-1-yl]ethanone
CID 167764357
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
methyl 2-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]sulfanylpropanoate
CID 55871171
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 30543126) is 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(C(=O)c2ccccc2I)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZOEKQSCQEADDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN3O2/c19-16-7-3-2-6-15(16)18(24)22-12-10-20(11-13-22)14-17(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-14H2.
What are the key properties of 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 441.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 30543126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).