3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C13H23ClN2O2 — CID 54876000

IUPAC3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCCl)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C13H23ClN2O2/c14-4-1-13(17)16-5-2-12(3-6-16)11-15-7-9-18-10-8-15/h12H,1-11H2
InChIKeyJSBUAMBHGGCHIH-UHFFFAOYSA-N
MW274.79 g/mol
LogP1.19
Rot. Bonds4

About 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 54876000) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID54876000
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCCl)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C13H23ClN2O2/c14-4-1-13(17)16-5-2-12(3-6-16)11-15-7-9-18-10-8-15/h12H,1-11H2
InChIKeyJSBUAMBHGGCHIH-UHFFFAOYSA-N
XLogP1.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 87018945
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110353819
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 54876000) is 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCCl)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JSBUAMBHGGCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O2/c14-4-1-13(17)16-5-2-12(3-6-16)11-15-7-9-18-10-8-15/h12H,1-11H2.
What are the key properties of 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 274.79 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 54876000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).