1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone

C17H24ClN3O3 — CID 99971048

IUPAC1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@@H]1CCCCO1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O3/c18-15-5-3-6-19-17(15)21-9-7-20(8-10-21)16(22)13-23-12-14-4-1-2-11-24-14/h3,5-6,14H,1-2,4,7-13H2/t14-/m0/s1
InChIKeyGWQNUYMJNIEZPQ-AWEZNQCLSA-N
MW353.85 g/mol
LogP1.97
Rot. Bonds5

About 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone

1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone (PubChem CID 99971048) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
PubChem CID99971048
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@@H]1CCCCO1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O3/c18-15-5-3-6-19-17(15)21-9-7-20(8-10-21)16(22)13-23-12-14-4-1-2-11-24-14/h3,5-6,14H,1-2,4,7-13H2/t14-/m0/s1
InChIKeyGWQNUYMJNIEZPQ-AWEZNQCLSA-N
XLogP1.97
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95882648
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 124588553
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084292
2-[4-[2-[(2S)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 94625700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone (CID 99971048) is 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone is O=C(COC[C@@H]1CCCCO1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
The InChIKey is GWQNUYMJNIEZPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c18-15-5-3-6-19-17(15)21-9-7-20(8-10-21)16(22)13-23-12-14-4-1-2-11-24-14/h3,5-6,14H,1-2,4,7-13H2/t14-/m0/s1.
What are the key properties of 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone?
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone has a molecular weight of 353.85 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone is sourced from PubChem (CID 99971048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).