1-propanoylpiperidine-4-carboximidamide

C9H17N3O — CID 89145196

IUPAC1-propanoylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C(=O)CC)CC1
InChIInChI=1S/C9H17N3O/c1-2-8(13)12-5-3-7(4-6-12)9(10)11/h7H,2-6H2,1H3,(H3,10,11)
InChIKeyIAXRPSGJESBWLT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.57
Rot. Bonds2

About 1-propanoylpiperidine-4-carboximidamide

1-propanoylpiperidine-4-carboximidamide (PubChem CID 89145196) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-propanoylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-propanoylpiperidine-4-carboximidamide
PubChem CID89145196
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-propanoylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C(=O)CC)CC1
InChIInChI=1S/C9H17N3O/c1-2-8(13)12-5-3-7(4-6-12)9(10)11/h7H,2-6H2,1H3,(H3,10,11)
InChIKeyIAXRPSGJESBWLT-UHFFFAOYSA-N
XLogP0.57
TPSA70.18 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 ≤ 50.57
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'}

Analyze 1-propanoylpiperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-Trifluoroacetyl)piperidine-4-carboximidamide
CID 165948917
N'-[(1-butanoylpiperidin-3-yl)methyl]ethanimidamide
CID 53844572
1-(2-Methylpropanimidoyl)piperidine-4-carboxamide
CID 57640410
1-Ethanimidoylpiperidine-4-carboxamide
CID 60085603
Acetic acid;4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid
CID 67156084
1-Acetylpiperidine-4-carboximidamide
CID 71432920
1-acetyl-N'-hydroxypiperidine-4-carboximidamide
CID 73852023
Acetyl 4-(2-amino-2-iminoethyl)piperidine-1-carboxylate
CID 87290077
N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
CID 90084974
1-(2-Methylpropanoyl)piperidine-4-carboximidamide
CID 99975645
CID 124488260
CID 124488260
N-(3-amino-3-iminopropyl)piperidine-4-carboxamide
CID 130388646

Frequently Asked Questions

What is the IUPAC name of 1-propanoylpiperidine-4-carboximidamide?
The IUPAC name of 1-propanoylpiperidine-4-carboximidamide (CID 89145196) is 1-propanoylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-propanoylpiperidine-4-carboximidamide?
The canonical SMILES for 1-propanoylpiperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-propanoylpiperidine-4-carboximidamide?
The InChIKey is IAXRPSGJESBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-8(13)12-5-3-7(4-6-12)9(10)11/h7H,2-6H2,1H3,(H3,10,11).
What are the key properties of 1-propanoylpiperidine-4-carboximidamide?
1-propanoylpiperidine-4-carboximidamide has a molecular weight of 183.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylpiperidine-4-carboximidamide is sourced from PubChem (CID 89145196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).