[1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C17H31N3O2 — CID 134273386

IUPAC[1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC1CNCC(CN2CCC(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-14-10-15(12-18-11-14)13-19-4-2-16(3-5-19)17(21)20-6-8-22-9-7-20/h14-16,18H,2-13H2,1H3
InChIKeyVDZOAGGUXYTLNW-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.80
Rot. Bonds3

About [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 134273386) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID134273386
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name[1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC1CNCC(CN2CCC(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-14-10-15(12-18-11-14)13-19-4-2-16(3-5-19)17(21)20-6-8-22-9-7-20/h14-16,18H,2-13H2,1H3
InChIKeyVDZOAGGUXYTLNW-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 134273386) is [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is CC1CNCC(CN2CCC(C(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VDZOAGGUXYTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14-10-15(12-18-11-14)13-19-4-2-16(3-5-19)17(21)20-6-8-22-9-7-20/h14-16,18H,2-13H2,1H3.
What are the key properties of [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 309.45 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methylpiperidin-3-yl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134273386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).