1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide

C16H23ClN2O3 — CID 3454765

IUPAC1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(O)COCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3/c17-15-4-2-1-3-13(15)10-22-11-14(20)9-19-7-5-12(6-8-19)16(18)21/h1-4,12,14,20H,5-11H2,(H2,18,21)
InChIKeyUNJGLDTXMQXOBF-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.41
Rot. Bonds7

About 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide

1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 3454765) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID3454765
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(O)COCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3/c17-15-4-2-1-3-13(15)10-22-11-14(20)9-19-7-5-12(6-8-19)16(18)21/h1-4,12,14,20H,5-11H2,(H2,18,21)
InChIKeyUNJGLDTXMQXOBF-UHFFFAOYSA-N
XLogP1.41
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide 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-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide (CID 3454765) is 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(O)COCc2ccccc2Cl)CC1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is UNJGLDTXMQXOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c17-15-4-2-1-3-13(15)10-22-11-14(20)9-19-7-5-12(6-8-19)16(18)21/h1-4,12,14,20H,5-11H2,(H2,18,21).
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide?
1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 3454765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).