[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone

C17H24N2O3 — CID 110856431

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCCOC3)CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-21-16-6-4-15(5-7-16)18-8-10-19(11-9-18)17(20)14-3-2-12-22-13-14/h4-7,14H,2-3,8-13H2,1H3
InChIKeyGICHSYCOCWWGNA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.77
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone (PubChem CID 110856431) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
PubChem CID110856431
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)C3CCCOC3)CC2)cc1
InChIInChI=1S/C17H24N2O3/c1-21-16-6-4-15(5-7-16)18-8-10-19(11-9-18)17(20)14-3-2-12-22-13-14/h4-7,14H,2-3,8-13H2,1H3
InChIKeyGICHSYCOCWWGNA-UHFFFAOYSA-N
XLogP1.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-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

oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
(1-ethylsulfonylpiperidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6500405
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 110682116
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92679537
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 113182712
(1S,2R,3S,4S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98368835
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263
2-bicyclo[2.2.1]heptanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51261936

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone (CID 110856431) is [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone is COc1ccc(N2CCN(C(=O)C3CCCOC3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is GICHSYCOCWWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-6-4-15(5-7-16)18-8-10-19(11-9-18)17(20)14-3-2-12-22-13-14/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 110856431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).