1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone

C18H26N4O3 — CID 135089139

IUPAC1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CNc2cc(C(=O)N3CCCCC3)ccn2)C1
InChIInChI=1S/C18H26N4O3/c1-14(23)22-9-10-25-16(13-22)12-20-17-11-15(5-6-19-17)18(24)21-7-3-2-4-8-21/h5-6,11,16H,2-4,7-10,12-13H2,1H3,(H,19,20)
InChIKeyAJZMBJIIVHLMBP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.37
Rot. Bonds4

About 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone

1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone (PubChem CID 135089139) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone
PubChem CID135089139
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CNc2cc(C(=O)N3CCCCC3)ccn2)C1
InChIInChI=1S/C18H26N4O3/c1-14(23)22-9-10-25-16(13-22)12-20-17-11-15(5-6-19-17)18(24)21-7-3-2-4-8-21/h5-6,11,16H,2-4,7-10,12-13H2,1H3,(H,19,20)
InChIKeyAJZMBJIIVHLMBP-UHFFFAOYSA-N
XLogP1.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone 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-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone (CID 135089139) is 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(CNc2cc(C(=O)N3CCCCC3)ccn2)C1.
What is the InChIKey of 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is AJZMBJIIVHLMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(23)22-9-10-25-16(13-22)12-20-17-11-15(5-6-19-17)18(24)21-7-3-2-4-8-21/h5-6,11,16H,2-4,7-10,12-13H2,1H3,(H,19,20).
What are the key properties of 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone?
1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 135089139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).