1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

C18H25ClN2O3 — CID 95267941

IUPAC1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCO1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O3/c19-16-4-1-3-15(11-16)12-20-6-8-21(9-7-20)18(22)14-23-13-17-5-2-10-24-17/h1,3-4,11,17H,2,5-10,12-14H2/t17-/m1/s1
InChIKeyFLUKSFYNNNBNBK-QGZVFWFLSA-N
MW352.86 g/mol
LogP2.18
Rot. Bonds6

About 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (PubChem CID 95267941) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
PubChem CID95267941
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCO1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O3/c19-16-4-1-3-15(11-16)12-20-6-8-21(9-7-20)18(22)14-23-13-17-5-2-10-24-17/h1,3-4,11,17H,2,5-10,12-14H2/t17-/m1/s1
InChIKeyFLUKSFYNNNBNBK-QGZVFWFLSA-N
XLogP2.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone with MolForge

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Related Compounds

1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608462
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 99959511
3-(3-chlorophenoxy)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 55678709
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
3-(3-chlorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122337025
1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 78875371
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119832684

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (CID 95267941) is 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is O=C(COC[C@H]1CCCO1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The InChIKey is FLUKSFYNNNBNBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c19-16-4-1-3-15(11-16)12-20-6-8-21(9-7-20)18(22)14-23-13-17-5-2-10-24-17/h1,3-4,11,17H,2,5-10,12-14H2/t17-/m1/s1.
What are the key properties of 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone has a molecular weight of 352.86 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is sourced from PubChem (CID 95267941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).