2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C17H26N4 — CID 62201293

IUPAC2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCCC1CCN(CC1)C2=C(C=C3CCCC3=N2)C(=N)N
InChIInChI=1S/C17H26N4/c1-2-4-12-7-9-21(10-8-12)17-14(16(18)19)11-13-5-3-6-15(13)20-17/h11-12H,2-10H2,1H3,(H3,18,19)
InChIKeyCLTIJKXMTLSORD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 62201293) has the molecular formula C17H26N4 and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID62201293
Molecular FormulaC17H26N4
Molecular Weight286.40 g/mol
Exact Mass286.22
IUPAC Name2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCCC1CCN(CC1)C2=C(C=C3CCCC3=N2)C(=N)N
InChIInChI=1S/C17H26N4/c1-2-4-12-7-9-21(10-8-12)17-14(16(18)19)11-13-5-3-6-15(13)20-17/h11-12H,2-10H2,1H3,(H3,18,19)
InChIKeyCLTIJKXMTLSORD-UHFFFAOYSA-N
XLogP3.30
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity362

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide 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 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 62201293) is 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCCC1CCN(CC1)C2=C(C=C3CCCC3=N2)C(=N)N.
What is the InChIKey of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is CLTIJKXMTLSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-4-12-7-9-21(10-8-12)17-14(16(18)19)11-13-5-3-6-15(13)20-17/h11-12H,2-10H2,1H3,(H3,18,19).
What are the key properties of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 286.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 62201293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).