4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

C15H28N2O3 — CID 87018945

IUPAC4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCOCCCC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-19-10-2-3-15(18)17-6-4-14(5-7-17)13-16-8-11-20-12-9-16/h14H,2-13H2,1H3
InChIKeyBFBCVUALNNGEEX-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.98
Rot. Bonds6

About 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 87018945) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID87018945
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCOCCCC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-19-10-2-3-15(18)17-6-4-14(5-7-17)13-16-8-11-20-12-9-16/h14H,2-13H2,1H3
InChIKeyBFBCVUALNNGEEX-UHFFFAOYSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-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

7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 167010737
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110353819
4-(3,4-dimethylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110624580
1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
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
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 115775093
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (CID 87018945) is 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is COCCCC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is BFBCVUALNNGEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-19-10-2-3-15(18)17-6-4-14(5-7-17)13-16-8-11-20-12-9-16/h14H,2-13H2,1H3.
What are the key properties of 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 284.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 87018945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).