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

C17H23ClN2O2 — CID 95759115

IUPAC2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C17H23ClN2O2/c18-14-4-1-3-13(11-14)12-17(22)20-9-7-19(8-10-20)15-5-2-6-16(15)21/h1,3-4,11,15-16,21H,2,5-10,12H2/t15-,16+/m0/s1
InChIKeyNSWLVPLACOTFJT-JKSUJKDBSA-N
MW322.84 g/mol
LogP1.94
Rot. Bonds3

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

2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone (PubChem CID 95759115) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
PubChem CID95759115
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C17H23ClN2O2/c18-14-4-1-3-13(11-14)12-17(22)20-9-7-19(8-10-20)15-5-2-6-16(15)21/h1,3-4,11,15-16,21H,2,5-10,12H2/t15-,16+/m0/s1
InChIKeyNSWLVPLACOTFJT-JKSUJKDBSA-N
XLogP1.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156721
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone (CID 95759115) is 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The InChIKey is NSWLVPLACOTFJT-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-4-1-3-13(11-14)12-17(22)20-9-7-19(8-10-20)15-5-2-6-16(15)21/h1,3-4,11,15-16,21H,2,5-10,12H2/t15-,16+/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone has a molecular weight of 322.84 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95759115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).