(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride

C17H24ClNO3 — CID 87303059

IUPAC(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride
SMILESCOCCCOC(c1ccccc1)[C@@H]1CCCN(C(=O)Cl)C1
InChIInChI=1S/C17H24ClNO3/c1-21-11-6-12-22-16(14-7-3-2-4-8-14)15-9-5-10-19(13-15)17(18)20/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t15-,16?/m1/s1
InChIKeyJHXSDKCVHVDNFK-AAFJCEBUSA-N
MW325.84 g/mol
LogP3.85
Rot. Bonds7

About (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride

(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride (PubChem CID 87303059) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride.

Molecular Properties

Compound Name(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride
PubChem CID87303059
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride
SMILESCOCCCOC(c1ccccc1)[C@@H]1CCCN(C(=O)Cl)C1
InChIInChI=1S/C17H24ClNO3/c1-21-11-6-12-22-16(14-7-3-2-4-8-14)15-9-5-10-19(13-15)17(18)20/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t15-,16?/m1/s1
InChIKeyJHXSDKCVHVDNFK-AAFJCEBUSA-N
XLogP3.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride 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

3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
CID 66862259
N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 143215087
2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide
CID 66862558
(3R)-N-[1-cyclohexyl-3-(propylamino)propan-2-yl]-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67194545
3-amino-4-cyclohexyl-1-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]butan-2-one
CID 68721259
methyl N-[2-[(R)-[(3R)-1-(methylcarbamoyl)piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
CID 70315941
(2S)-3-cyclohexyl-2-N-[(E)-1-[(3R)-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]-2-nitroethenyl]propane-1,2-diamine
CID 69470940
3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
CID 123870665
(3R)-N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[3-ethoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67193802
tert-butyl 3-[2-methylsulfonyloxyethoxy(phenyl)methyl]piperidine-1-carboxylate
CID 58011497
[(2R)-3-cyclohexyl-2-[[2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]-3,4-dioxocyclobuten-1-yl]amino]propyl]carbamic acid
CID 87544837
3-[[(2S)-1-amino-3-cyclohexylpropan-2-yl]-methylamino]-4-[(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
CID 87304087

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride?
The IUPAC name of (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride (CID 87303059) is (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride.
What is the SMILES notation for (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride?
The canonical SMILES for (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride is COCCCOC(c1ccccc1)[C@@H]1CCCN(C(=O)Cl)C1.
What is the InChIKey of (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride?
The InChIKey is JHXSDKCVHVDNFK-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-21-11-6-12-22-16(14-7-3-2-4-8-14)15-9-5-10-19(13-15)17(18)20/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t15-,16?/m1/s1.
What are the key properties of (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride?
(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride is sourced from PubChem (CID 87303059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).