(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone

C19H26N2O4 — CID 70732555

IUPAC(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3(C)CCCCO3)CC2)c1
InChIInChI=1S/C19H26N2O4/c1-19(8-3-4-13-25-19)18(23)21-11-9-20(10-12-21)17(22)15-6-5-7-16(14-15)24-2/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeyXDEUBJHLYYVDFA-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.94
Rot. Bonds3

About (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 70732555) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
PubChem CID70732555
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3(C)CCCCO3)CC2)c1
InChIInChI=1S/C19H26N2O4/c1-19(8-3-4-13-25-19)18(23)21-11-9-20(10-12-21)17(22)15-6-5-7-16(14-15)24-2/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeyXDEUBJHLYYVDFA-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
CID 80685429
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone (CID 70732555) is (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)C3(C)CCCCO3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XDEUBJHLYYVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(8-3-4-13-25-19)18(23)21-11-9-20(10-12-21)17(22)15-6-5-7-16(14-15)24-2/h5-7,14H,3-4,8-13H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70732555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).