(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C16H22FN3O — CID 64823960

IUPAC(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1CCCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O/c17-13-5-1-2-7-15(13)19-8-10-20(11-9-19)16(21)12-4-3-6-14(12)18/h1-2,5,7,12,14H,3-4,6,8-11,18H2
InChIKeyDCBSSNIMRUJCSZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.60
Rot. Bonds2

About (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 64823960) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID64823960
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1CCCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O/c17-13-5-1-2-7-15(13)19-8-10-20(11-9-19)16(21)12-4-3-6-14(12)18/h1-2,5,7,12,14H,3-4,6,8-11,18H2
InChIKeyDCBSSNIMRUJCSZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66240445
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119826971
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
(1S,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51398785
(1R,2S,3S,4R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98301617

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 64823960) is (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is NC1CCCC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DCBSSNIMRUJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-13-5-1-2-7-15(13)19-8-10-20(11-9-19)16(21)12-4-3-6-14(12)18/h1-2,5,7,12,14H,3-4,6,8-11,18H2.
What are the key properties of (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 291.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 64823960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).