1-butanoylpiperidine-4-carboximidamide;molecular hydrogen

C10H21N3O — CID 170758828

IUPAC1-butanoylpiperidine-4-carboximidamide;molecular hydrogen
SMILES[H]/N=C(\N)C1CCN(C(=O)CCC)CC1.[H][H]
InChIInChI=1S/C10H19N3O.H2/c1-2-3-9(14)13-6-4-8(5-7-13)10(11)12;/h8H,2-7H2,1H3,(H3,11,12);1H
InChIKeyMXIDLCBLYPMIGO-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.21
Rot. Bonds3

About 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen

1-butanoylpiperidine-4-carboximidamide;molecular hydrogen (PubChem CID 170758828) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen.

Molecular Properties

Compound Name1-butanoylpiperidine-4-carboximidamide;molecular hydrogen
PubChem CID170758828
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-butanoylpiperidine-4-carboximidamide;molecular hydrogen
SMILES[H]/N=C(\N)C1CCN(C(=O)CCC)CC1.[H][H]
InChIInChI=1S/C10H19N3O.H2/c1-2-3-9(14)13-6-4-8(5-7-13)10(11)12;/h8H,2-7H2,1H3,(H3,11,12);1H
InChIKeyMXIDLCBLYPMIGO-UHFFFAOYSA-N
XLogP1.21
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.21
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-butanoylpiperidine-4-carboximidamide;molecular hydrogen with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen?
The IUPAC name of 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen (CID 170758828) is 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen.
What is the SMILES notation for 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen?
The canonical SMILES for 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen is [H]/N=C(\N)C1CCN(C(=O)CCC)CC1.[H][H].
What is the InChIKey of 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen?
The InChIKey is MXIDLCBLYPMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.H2/c1-2-3-9(14)13-6-4-8(5-7-13)10(11)12;/h8H,2-7H2,1H3,(H3,11,12);1H.
What are the key properties of 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen?
1-butanoylpiperidine-4-carboximidamide;molecular hydrogen has a molecular weight of 199.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoylpiperidine-4-carboximidamide;molecular hydrogen is sourced from PubChem (CID 170758828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).