2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide

C17H25ClN2O3 — CID 111565362

IUPAC2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O3/c18-15-5-3-13(4-6-15)11-23-12-16(21)10-20-7-1-2-14(9-20)8-17(19)22/h3-6,14,16,21H,1-2,7-12H2,(H2,19,22)
InChIKeyJRCFTBMBHZKNSM-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.80
Rot. Bonds8

About 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide

2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide (PubChem CID 111565362) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
PubChem CID111565362
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O3/c18-15-5-3-13(4-6-15)11-23-12-16(21)10-20-7-1-2-14(9-20)8-17(19)22/h3-6,14,16,21H,1-2,7-12H2,(H2,19,22)
InChIKeyJRCFTBMBHZKNSM-UHFFFAOYSA-N
XLogP1.80
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide 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

(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
2-[1-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565370
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-3-yl]acetamide
CID 119035061
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
(2R)-1-[(4-chlorophenyl)methoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1227221
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 100837884
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide (CID 111565362) is 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide is NC(=O)CC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
The InChIKey is JRCFTBMBHZKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c18-15-5-3-13(4-6-15)11-23-12-16(21)10-20-7-1-2-14(9-20)8-17(19)22/h3-6,14,16,21H,1-2,7-12H2,(H2,19,22).
What are the key properties of 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide?
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide has a molecular weight of 340.85 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 111565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).