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

C18H26ClN3O — CID 69066640

IUPAC[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone
SMILESCC1(C)CN(C(=O)[C@H]2CCC[C@@H]2N)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O/c1-18(2)12-21(17(23)15-4-3-5-16(15)20)10-11-22(18)14-8-6-13(19)7-9-14/h6-9,15-16H,3-5,10-12,20H2,1-2H3/t15-,16-/m0/s1
InChIKeyLPUXJKAZRVSJQT-HOTGVXAUSA-N
MW335.88 g/mol
LogP2.89
Rot. Bonds2

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

[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone (PubChem CID 69066640) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone
PubChem CID69066640
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone
SMILESCC1(C)CN(C(=O)[C@H]2CCC[C@@H]2N)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN3O/c1-18(2)12-21(17(23)15-4-3-5-16(15)20)10-11-22(18)14-8-6-13(19)7-9-14/h6-9,15-16H,3-5,10-12,20H2,1-2H3/t15-,16-/m0/s1
InChIKeyLPUXJKAZRVSJQT-HOTGVXAUSA-N
XLogP2.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone (CID 69066640) is [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone is CC1(C)CN(C(=O)[C@H]2CCC[C@@H]2N)CCN1c1ccc(Cl)cc1.
What is the InChIKey of [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone?
The InChIKey is LPUXJKAZRVSJQT-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-18(2)12-21(17(23)15-4-3-5-16(15)20)10-11-22(18)14-8-6-13(19)7-9-14/h6-9,15-16H,3-5,10-12,20H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone?
[(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone has a molecular weight of 335.88 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-aminocyclopentyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 69066640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).