[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone

C24H30N2O3 — CID 3280482

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)c1C
InChIInChI=1S/C24H30N2O3/c1-18-5-3-7-23(19(18)2)25-12-14-26(15-13-25)24(27)20-8-10-21(11-9-20)29-17-22-6-4-16-28-22/h3,5,7-11,22H,4,6,12-17H2,1-2H3
InChIKeyKSBPTYBRFAUABC-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.82
Rot. Bonds5

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 3280482) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID3280482
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)c1C
InChIInChI=1S/C24H30N2O3/c1-18-5-3-7-23(19(18)2)25-12-14-26(15-13-25)24(27)20-8-10-21(11-9-20)29-17-22-6-4-16-28-22/h3,5,7-11,22H,4,6,12-17H2,1-2H3
InChIKeyKSBPTYBRFAUABC-UHFFFAOYSA-N
XLogP3.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methanone
CID 121017308
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
CID 28633427
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185149
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 52909095
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone (CID 3280482) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is KSBPTYBRFAUABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-5-3-7-23(19(18)2)25-12-14-26(15-13-25)24(27)20-8-10-21(11-9-20)29-17-22-6-4-16-28-22/h3,5,7-11,22H,4,6,12-17H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 394.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 3280482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).