1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide

C13H21N3O2 — CID 103195246

IUPAC1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(C)=C2CNC2)C1
InChIInChI=1S/C13H21N3O2/c1-9(11-6-15-7-11)13(18)16-5-3-4-10(8-16)12(17)14-2/h10,15H,3-8H2,1-2H3,(H,14,17)
InChIKeySPPSYILMFBSUON-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.11
Rot. Bonds2

About 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide

1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103195246) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide
PubChem CID103195246
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(C)=C2CNC2)C1
InChIInChI=1S/C13H21N3O2/c1-9(11-6-15-7-11)13(18)16-5-3-4-10(8-16)12(17)14-2/h10,15H,3-8H2,1-2H3,(H,14,17)
InChIKeySPPSYILMFBSUON-UHFFFAOYSA-N
XLogP-0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981
N-[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-3-yl]methanesulfonamide
CID 116676438
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
CID 103195511
2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674208
2-(azetidin-3-ylidene)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 116678343
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
1-(1-aminocyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103811036
2-(azetidin-3-ylidene)-1-(2-methylthiomorpholin-4-yl)propan-1-one
CID 116679094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide (CID 103195246) is 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C(C)=C2CNC2)C1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is SPPSYILMFBSUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(11-6-15-7-11)13(18)16-5-3-4-10(8-16)12(17)14-2/h10,15H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide?
1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propanoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).