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

C17H23ClN2O2 — CID 97014148

IUPAC2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H23ClN2O2/c18-14-5-2-1-4-13(14)12-17(22)20-10-8-19(9-11-20)15-6-3-7-16(15)21/h1-2,4-5,15-16,21H,3,6-12H2/t15-,16+/m1/s1
InChIKeyKTGVEEPZMQBRKK-CVEARBPZSA-N
MW322.84 g/mol
LogP1.94
Rot. Bonds3

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

2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone (PubChem CID 97014148) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
PubChem CID97014148
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H23ClN2O2/c18-14-5-2-1-4-13(14)12-17(22)20-10-8-19(9-11-20)15-6-3-7-16(15)21/h1-2,4-5,15-16,21H,3,6-12H2/t15-,16+/m1/s1
InChIKeyKTGVEEPZMQBRKK-CVEARBPZSA-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

3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
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
2-(2-chlorophenyl)-1-[4-(1-methylpiperidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 138382667
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119754563
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone (CID 97014148) is 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
The InChIKey is KTGVEEPZMQBRKK-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-5-2-1-4-13(14)12-17(22)20-10-8-19(9-11-20)15-6-3-7-16(15)21/h1-2,4-5,15-16,21H,3,6-12H2/t15-,16+/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[(1R,2S)-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-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 97014148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).