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

C16H22ClN3O — CID 124510897

IUPAC[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESN[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O/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/t12-,14+/m1/s1
InChIKeyNCLFDRWXJXSAIO-OCCSQVGLSA-N
MW307.82 g/mol
LogP2.12
Rot. Bonds2

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

[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 124510897) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID124510897
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESN[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O/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/t12-,14+/m1/s1
InChIKeyNCLFDRWXJXSAIO-OCCSQVGLSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 4786854
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
(2-aminocyclopentyl)-(2-chlorophenyl)methanone
CID 116580051
[(1R,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510949
[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510950

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 124510897) is [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is N[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is NCLFDRWXJXSAIO-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22ClN3O/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/t12-,14+/m1/s1.
What are the key properties of [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
[(1R,2S)-2-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 [(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124510897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).