N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide

C14H25N3O2 — CID 123297663

IUPACN-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide
SMILESCNC(=O)C=CCN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-15-14(18)3-2-6-16-7-4-13(5-8-16)17-9-11-19-12-10-17/h2-3,13H,4-12H2,1H3,(H,15,18)
InChIKeyQRCCUWLWLVNSEQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.09
Rot. Bonds4

About N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide

N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide (PubChem CID 123297663) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound NameN-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide
PubChem CID123297663
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide
SMILESCNC(=O)C=CCN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-15-14(18)3-2-6-16-7-4-13(5-8-16)17-9-11-19-12-10-17/h2-3,13H,4-12H2,1H3,(H,15,18)
InChIKeyQRCCUWLWLVNSEQ-UHFFFAOYSA-N
XLogP0.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide 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 N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide?
The IUPAC name of N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide (CID 123297663) is N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide.
What is the SMILES notation for N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide?
The canonical SMILES for N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide is CNC(=O)C=CCN1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide?
The InChIKey is QRCCUWLWLVNSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-14(18)3-2-6-16-7-4-13(5-8-16)17-9-11-19-12-10-17/h2-3,13H,4-12H2,1H3,(H,15,18).
What are the key properties of N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide?
N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-morpholin-4-ylpiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 123297663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).