(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone

C16H21IN2O — CID 60735523

IUPAC(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21IN2O/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeyVUUHIDOFBFQSEO-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.99
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone (PubChem CID 60735523) has the molecular formula C16H21IN2O and a molecular weight of 384.26 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
PubChem CID60735523
Molecular FormulaC16H21IN2O
Molecular Weight384.26 g/mol
Exact Mass384.07
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21IN2O/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeyVUUHIDOFBFQSEO-UHFFFAOYSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.99
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

(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
CID 55583894
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
(4-cyclobutyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 131702225
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone (CID 60735523) is (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone?
The InChIKey is VUUHIDOFBFQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone has a molecular weight of 384.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone is sourced from PubChem (CID 60735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).