[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone

C24H38N4O4 — CID 166220087

IUPAC[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCCN1CC#CCN1CCCCC1C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C24H38N4O4/c29-23(27-13-17-31-18-14-27)21-7-1-3-9-25(21)11-5-6-12-26-10-4-2-8-22(26)24(30)28-15-19-32-20-16-28/h21-22H,1-4,7-20H2
InChIKeyGQIILMSTAJQVHT-UHFFFAOYSA-N
MW446.59 g/mol
LogP0.42
Rot. Bonds4

About [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone

[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 166220087) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID166220087
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCCN1CC#CCN1CCCCC1C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C24H38N4O4/c29-23(27-13-17-31-18-14-27)21-7-1-3-9-25(21)11-5-6-12-26-10-4-2-8-22(26)24(30)28-15-19-32-20-16-28/h21-22H,1-4,7-20H2
InChIKeyGQIILMSTAJQVHT-UHFFFAOYSA-N
XLogP0.42
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-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

Related Compounds

(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
3-[2-(morpholine-4-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981521
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
[1-[1-[(2R)-1-ethylpiperidine-2-carbonyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 95550011
N-cyclopropyl-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 47075935
[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522970
2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 112684499
[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
CID 97181530
[(2R)-1-[[(2S)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
CID 124554731
[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 71989099
[(2S)-1-[(2R)-2-hydroxyhex-5-enyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 124855993

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone (CID 166220087) is [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCCN1CC#CCN1CCCCC1C(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GQIILMSTAJQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c29-23(27-13-17-31-18-14-27)21-7-1-3-9-25(21)11-5-6-12-26-10-4-2-8-22(26)24(30)28-15-19-32-20-16-28/h21-22H,1-4,7-20H2.
What are the key properties of [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone?
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 446.59 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166220087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).