(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one

C9H16ClNO2 — CID 129410228

IUPAC(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
SMILESCO[C@H]1CCCN(C(=O)[C@H](C)Cl)C1
InChIInChI=1S/C9H16ClNO2/c1-7(10)9(12)11-5-3-4-8(6-11)13-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyYJQAYQURPCXTLZ-YUMQZZPRSA-N
MW205.68 g/mol
LogP1.25
Rot. Bonds2

About (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one

(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one (PubChem CID 129410228) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
PubChem CID129410228
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
SMILESCO[C@H]1CCCN(C(=O)[C@H](C)Cl)C1
InChIInChI=1S/C9H16ClNO2/c1-7(10)9(12)11-5-3-4-8(6-11)13-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyYJQAYQURPCXTLZ-YUMQZZPRSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (2S)-2-chloro-1-[(3S)-3-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

3-methoxypiperidine-1-carbonyl chloride
CID 102969135
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
2-bromo-1-(3-methoxypiperidin-1-yl)butan-1-one
CID 102956877
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497963
(2S)-2-chloro-1-[(3R)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497960
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one (CID 129410228) is (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one is CO[C@H]1CCCN(C(=O)[C@H](C)Cl)C1.
What is the InChIKey of (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one?
The InChIKey is YJQAYQURPCXTLZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-7(10)9(12)11-5-3-4-8(6-11)13-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one?
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one has a molecular weight of 205.68 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 129410228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).