N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide

C14H23N3O2 — CID 102736257

IUPACN-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C(C)=C2CNC2)CC1
InChIInChI=1S/C14H23N3O2/c1-10(13-8-15-9-13)14(19)17-5-3-12(4-6-17)7-16-11(2)18/h12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyAMUHDWGXMYDSON-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.28
Rot. Bonds3

About N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736257) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736257
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C(C)=C2CNC2)CC1
InChIInChI=1S/C14H23N3O2/c1-10(13-8-15-9-13)14(19)17-5-3-12(4-6-17)7-16-11(2)18/h12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyAMUHDWGXMYDSON-UHFFFAOYSA-N
XLogP0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.28
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide (CID 102736257) is N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)C(C)=C2CNC2)CC1.
What is the InChIKey of N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is AMUHDWGXMYDSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(13-8-15-9-13)14(19)17-5-3-12(4-6-17)7-16-11(2)18/h12,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).