1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide

C15H25N3O2 — CID 71792682

IUPAC1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCC#CCN2CCOCC2)C1
InChIInChI=1S/C15H25N3O2/c1-17-7-4-5-14(13-17)15(19)16-6-2-3-8-18-9-11-20-12-10-18/h14H,4-13H2,1H3,(H,16,19)
InChIKeyVNAKRDCRUGEVTB-UHFFFAOYSA-N
MW279.38 g/mol
LogP-0.22
Rot. Bonds3

About 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide

1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide (PubChem CID 71792682) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide
PubChem CID71792682
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCC#CCN2CCOCC2)C1
InChIInChI=1S/C15H25N3O2/c1-17-7-4-5-14(13-17)15(19)16-6-2-3-8-18-9-11-20-12-10-18/h14H,4-13H2,1H3,(H,16,19)
InChIKeyVNAKRDCRUGEVTB-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide 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-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide (CID 71792682) is 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide is CN1CCCC(C(=O)NCC#CCN2CCOCC2)C1.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide?
The InChIKey is VNAKRDCRUGEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-7-4-5-14(13-17)15(19)16-6-2-3-8-18-9-11-20-12-10-18/h14H,4-13H2,1H3,(H,16,19).
What are the key properties of 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide?
1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-morpholin-4-ylbut-2-ynyl)piperidine-3-carboxamide is sourced from PubChem (CID 71792682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).