1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one

C16H27N3O2 — CID 62357947

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one
SMILESCCCC(CC(=O)N1CCCC(CCO)C1)n1ccnc1
InChIInChI=1S/C16H27N3O2/c1-2-4-15(19-9-7-17-13-19)11-16(21)18-8-3-5-14(12-18)6-10-20/h7,9,13-15,20H,2-6,8,10-12H2,1H3
InChIKeyUTDMAYUETSHRPU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds7

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one

1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one (PubChem CID 62357947) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one
PubChem CID62357947
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one
SMILESCCCC(CC(=O)N1CCCC(CCO)C1)n1ccnc1
InChIInChI=1S/C16H27N3O2/c1-2-4-15(19-9-7-17-13-19)11-16(21)18-8-3-5-14(12-18)6-10-20/h7,9,13-15,20H,2-6,8,10-12H2,1H3
InChIKeyUTDMAYUETSHRPU-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one 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-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one (CID 62357947) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one is CCCC(CC(=O)N1CCCC(CCO)C1)n1ccnc1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one?
The InChIKey is UTDMAYUETSHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-4-15(19-9-7-17-13-19)11-16(21)18-8-3-5-14(12-18)6-10-20/h7,9,13-15,20H,2-6,8,10-12H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylhexan-1-one is sourced from PubChem (CID 62357947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).