[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone

C16H22ClN3O — CID 124523270

IUPAC[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H22ClN3O/c17-14-3-1-2-4-15(14)19-7-9-20(10-8-19)16(21)12-5-6-13(18)11-12/h1-4,12-13H,5-11,18H2/t12-,13+/m0/s1
InChIKeyYISJUXSNYPUJRW-QWHCGFSZSA-N
MW307.82 g/mol
LogP2.12
Rot. Bonds2

About [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone

[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 124523270) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID124523270
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H22ClN3O/c17-14-3-1-2-4-15(14)19-7-9-20(10-8-19)16(21)12-5-6-13(18)11-12/h1-4,12-13H,5-11,18H2/t12-,13+/m0/s1
InChIKeyYISJUXSNYPUJRW-QWHCGFSZSA-N
XLogP2.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.12
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-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 4786854
(3-aminocyclopentyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894779
(3-aminocyclopentyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 119678354
(3-aminocyclopentyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119844355
(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839310
3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine
CID 79468286
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129377317
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclopentyl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119832897

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 124523270) is [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is N[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is YISJUXSNYPUJRW-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-3-1-2-4-15(14)19-7-9-20(10-8-19)16(21)12-5-6-13(18)11-12/h1-4,12-13H,5-11,18H2/t12-,13+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 307.82 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124523270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).