1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone

C17H25N3O2 — CID 26191624

IUPAC1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(O[C@@H]3CCCNC3)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(21)19-9-11-20(12-10-19)15-4-6-16(7-5-15)22-17-3-2-8-18-13-17/h4-7,17-18H,2-3,8-13H2,1H3/t17-/m1/s1
InChIKeyNJPKGFBMGKOZES-QGZVFWFLSA-N
MW303.41 g/mol
LogP1.49
Rot. Bonds3

About 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone (PubChem CID 26191624) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone
PubChem CID26191624
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(O[C@@H]3CCCNC3)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-14(21)19-9-11-20(12-10-19)15-4-6-16(7-5-15)22-17-3-2-8-18-13-17/h4-7,17-18H,2-3,8-13H2,1H3/t17-/m1/s1
InChIKeyNJPKGFBMGKOZES-QGZVFWFLSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone (CID 26191624) is 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(O[C@@H]3CCCNC3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is NJPKGFBMGKOZES-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)19-9-11-20(12-10-19)15-4-6-16(7-5-15)22-17-3-2-8-18-13-17/h4-7,17-18H,2-3,8-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 26191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).