3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride

C13H23Cl2N3O — CID 70298080

IUPAC3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride
SMILESCl.Cl.NC(=O)CCN1CCC(C2C=CC=CN2)CC1
InChIInChI=1S/C13H21N3O.2ClH/c14-13(17)6-10-16-8-4-11(5-9-16)12-3-1-2-7-15-12;;/h1-3,7,11-12,15H,4-6,8-10H2,(H2,14,17);2*1H
InChIKeyDXPDOLHFPWNPJT-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.46
Rot. Bonds4

About 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride

3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride (PubChem CID 70298080) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride
PubChem CID70298080
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC Name3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride
SMILESCl.Cl.NC(=O)CCN1CCC(C2C=CC=CN2)CC1
InChIInChI=1S/C13H21N3O.2ClH/c14-13(17)6-10-16-8-4-11(5-9-16)12-3-1-2-7-15-12;;/h1-3,7,11-12,15H,4-6,8-10H2,(H2,14,17);2*1H
InChIKeyDXPDOLHFPWNPJT-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride 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 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride?
The IUPAC name of 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride (CID 70298080) is 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride is Cl.Cl.NC(=O)CCN1CCC(C2C=CC=CN2)CC1.
What is the InChIKey of 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride?
The InChIKey is DXPDOLHFPWNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c14-13(17)6-10-16-8-4-11(5-9-16)12-3-1-2-7-15-12;;/h1-3,7,11-12,15H,4-6,8-10H2,(H2,14,17);2*1H.
What are the key properties of 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride?
3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2-dihydropyridin-2-yl)piperidin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 70298080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).