3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one

C9H16ClNO2 — CID 43373029

IUPAC3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C9H16ClNO2/c1-13-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-7H2,1H3
InChIKeyCLYWHTKRDTWRGV-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.25
Rot. Bonds3

About 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one

3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 43373029) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
PubChem CID43373029
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C9H16ClNO2/c1-13-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-7H2,1H3
InChIKeyCLYWHTKRDTWRGV-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-1-(4-methoxypiperidin-1-yl)propan-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

Related Compounds

1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
3-chloro-1-(3-methoxy-4-methylpiperidin-1-yl)propan-1-one
CID 102956855
3-(4-aminocyclohexyl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 62781510
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562169
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
1-[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]-3-chloropropan-1-one
CID 165439353
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
methyl 4-(3-chloropropanoyl)piperazine-1-carboxylate
CID 61042593
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
3-chloro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112624806

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one (CID 43373029) is 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one is COC1CCN(C(=O)CCCl)CC1.
What is the InChIKey of 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is CLYWHTKRDTWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-13-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-7H2,1H3.
What are the key properties of 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one?
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 205.68 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43373029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).