(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone

C17H23N3O2 — CID 119683412

IUPAC(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
SMILESNC1CCCC1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c18-15-8-4-7-14(15)17(22)20-11-9-19(10-12-20)16(21)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,18H2
InChIKeyJXGVQVZPSWASQB-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.10
Rot. Bonds2

About (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone

(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone (PubChem CID 119683412) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
PubChem CID119683412
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
SMILESNC1CCCC1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c18-15-8-4-7-14(15)17(22)20-11-9-19(10-12-20)16(21)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,18H2
InChIKeyJXGVQVZPSWASQB-UHFFFAOYSA-N
XLogP1.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 64824668
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone (CID 119683412) is (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone is NC1CCCC1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone?
The InChIKey is JXGVQVZPSWASQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-15-8-4-7-14(15)17(22)20-11-9-19(10-12-20)16(21)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,18H2.
What are the key properties of (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone?
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone is sourced from PubChem (CID 119683412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).