N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide

C10H19N3O — CID 4126519

IUPACN-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
SMILESCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C10H19N3O/c1-8(2)13-6-4-10(5-7-13)12-11-9(3)14/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyAICAWYWROTTYHN-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds2

About N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide

N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide (PubChem CID 4126519) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
PubChem CID4126519
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
SMILESCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C10H19N3O/c1-8(2)13-6-4-10(5-7-13)12-11-9(3)14/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyAICAWYWROTTYHN-UHFFFAOYSA-N
XLogP0.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide (CID 4126519) is N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide is CC(=O)NN=C1CCN(C(C)C)CC1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is AICAWYWROTTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)13-6-4-10(5-7-13)12-11-9(3)14/h8H,4-7H2,1-3H3,(H,11,14).
What are the key properties of N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 197.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 4126519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).