(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone

C17H25N3O — CID 62368670

IUPAC(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H25N3O/c1-18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-3-7-14/h4-5,8-9,14,18H,2-3,6-7,10-13H2,1H3
InChIKeyHFKKBCDGJLWVFD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.43
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone

(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone (PubChem CID 62368670) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
PubChem CID62368670
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H25N3O/c1-18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-3-7-14/h4-5,8-9,14,18H,2-3,6-7,10-13H2,1H3
InChIKeyHFKKBCDGJLWVFD-UHFFFAOYSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
CID 55583894
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 55584938
methyl 2-[(4-cycloheptylpiperazine-1-carbothioyl)amino]benzoate
CID 5172979
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone (CID 62368670) is (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone is CNc1ccccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone?
The InChIKey is HFKKBCDGJLWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-16-9-5-4-8-15(16)17(21)20-12-10-19(11-13-20)14-6-2-3-7-14/h4-5,8-9,14,18H,2-3,6-7,10-13H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62368670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).