N-(1-amino-2-piperidin-4-ylethylidene)acetamide

C9H17N3O — CID 57274047

IUPACN-(1-amino-2-piperidin-4-ylethylidene)acetamide
SMILESCC(=O)/N=C(\N)CC1CCNCC1
InChIInChI=1S/C9H17N3O/c1-7(13)12-9(10)6-8-2-4-11-5-3-8/h8,11H,2-6H2,1H3,(H2,10,12,13)
InChIKeyPSOXMCKEYOKKGN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds2

About N-(1-amino-2-piperidin-4-ylethylidene)acetamide

N-(1-amino-2-piperidin-4-ylethylidene)acetamide (PubChem CID 57274047) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-amino-2-piperidin-4-ylethylidene)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-piperidin-4-ylethylidene)acetamide
PubChem CID57274047
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1-amino-2-piperidin-4-ylethylidene)acetamide
SMILESCC(=O)/N=C(\N)CC1CCNCC1
InChIInChI=1S/C9H17N3O/c1-7(13)12-9(10)6-8-2-4-11-5-3-8/h8,11H,2-6H2,1H3,(H2,10,12,13)
InChIKeyPSOXMCKEYOKKGN-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-piperidin-4-ylethylidene)acetamide?
The IUPAC name of N-(1-amino-2-piperidin-4-ylethylidene)acetamide (CID 57274047) is N-(1-amino-2-piperidin-4-ylethylidene)acetamide.
What is the SMILES notation for N-(1-amino-2-piperidin-4-ylethylidene)acetamide?
The canonical SMILES for N-(1-amino-2-piperidin-4-ylethylidene)acetamide is CC(=O)/N=C(\N)CC1CCNCC1.
What is the InChIKey of N-(1-amino-2-piperidin-4-ylethylidene)acetamide?
The InChIKey is PSOXMCKEYOKKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(13)12-9(10)6-8-2-4-11-5-3-8/h8,11H,2-6H2,1H3,(H2,10,12,13).
What are the key properties of N-(1-amino-2-piperidin-4-ylethylidene)acetamide?
N-(1-amino-2-piperidin-4-ylethylidene)acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-piperidin-4-ylethylidene)acetamide is sourced from PubChem (CID 57274047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).