[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

C17H24N2O3 — CID 124571660

IUPAC[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C17H24N2O3/c1-13-11-18-7-8-19(13)17(20)14-4-2-5-15(10-14)22-12-16-6-3-9-21-16/h2,4-5,10,13,16,18H,3,6-9,11-12H2,1H3/t13-,16-/m0/s1
InChIKeyXHWNZOJFGQPACC-BBRMVZONSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds4

About [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 124571660) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID124571660
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESC[C@H]1CNCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C17H24N2O3/c1-13-11-18-7-8-19(13)17(20)14-4-2-5-15(10-14)22-12-16-6-3-9-21-16/h2,4-5,10,13,16,18H,3,6-9,11-12H2,1H3/t13-,16-/m0/s1
InChIKeyXHWNZOJFGQPACC-BBRMVZONSA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 30470506
3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 120599937
[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948049
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 124571660) is [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is C[C@H]1CNCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is XHWNZOJFGQPACC-BBRMVZONSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-11-18-7-8-19(13)17(20)14-4-2-5-15(10-14)22-12-16-6-3-9-21-16/h2,4-5,10,13,16,18H,3,6-9,11-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 124571660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).