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

C17H24N2O3 — CID 124591399

IUPAC[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CCN1
InChIInChI=1S/C17H24N2O3/c1-13-11-19(9-8-18-13)17(20)15-6-2-3-7-16(15)22-12-14-5-4-10-21-14/h2-3,6-7,13-14,18H,4-5,8-12H2,1H3/t13-,14-/m0/s1
InChIKeyBCBCALQXXNTNRV-KBPBESRZSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds4

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

[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 124591399) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID124591399
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESC[C@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CCN1
InChIInChI=1S/C17H24N2O3/c1-13-11-19(9-8-18-13)17(20)15-6-2-3-7-16(15)22-12-14-5-4-10-21-14/h2-3,6-7,13-14,18H,4-5,8-12H2,1H3/t13-,14-/m0/s1
InChIKeyBCBCALQXXNTNRV-KBPBESRZSA-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 [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 43048299
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 124591399) is [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is C[C@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CCN1.
What is the InChIKey of [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is BCBCALQXXNTNRV-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-11-19(9-8-18-13)17(20)15-6-2-3-7-16(15)22-12-14-5-4-10-21-14/h2-3,6-7,13-14,18H,4-5,8-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
[(3S)-3-methylpiperazin-1-yl]-[2-[[(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 [(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 124591399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).