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

C19H25ClN2O2 — CID 98767571

IUPAC[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H25ClN2O2/c20-14-4-1-3-13(11-14)15-12-16(15)19(24)22-9-7-21(8-10-22)17-5-2-6-18(17)23/h1,3-4,11,15-18,23H,2,5-10,12H2/t15-,16-,17+,18+/m1/s1
InChIKeyGVHDCZJRQFPNPE-BDXSIMOUSA-N
MW348.87 g/mol
LogP2.50
Rot. Bonds3

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

[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 98767571) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID98767571
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C19H25ClN2O2/c20-14-4-1-3-13(11-14)15-12-16(15)19(24)22-9-7-21(8-10-22)17-5-2-6-18(17)23/h1,3-4,11,15-18,23H,2,5-10,12H2/t15-,16-,17+,18+/m1/s1
InChIKeyGVHDCZJRQFPNPE-BDXSIMOUSA-N
XLogP2.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 52910524
[2-(3-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 119415861
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779940
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
CID 151018806
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95759192

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 98767571) is [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is GVHDCZJRQFPNPE-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-14-4-1-3-13(11-14)15-12-16(15)19(24)22-9-7-21(8-10-22)17-5-2-6-18(17)23/h1,3-4,11,15-18,23H,2,5-10,12H2/t15-,16-,17+,18+/m1/s1.
What are the key properties of [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 348.87 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 98767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).