3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide

C13H20N4O — CID 28807813

IUPAC3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCN1CCNCC1)NCc1cccnc1
InChIInChI=1S/C13H20N4O/c18-13(3-7-17-8-5-14-6-9-17)16-11-12-2-1-4-15-10-12/h1-2,4,10,14H,3,5-9,11H2,(H,16,18)
InChIKeyHAGWWNPQSRMOFP-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.01
Rot. Bonds5

About 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide

3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 28807813) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID28807813
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCN1CCNCC1)NCc1cccnc1
InChIInChI=1S/C13H20N4O/c18-13(3-7-17-8-5-14-6-9-17)16-11-12-2-1-4-15-10-12/h1-2,4,10,14H,3,5-9,11H2,(H,16,18)
InChIKeyHAGWWNPQSRMOFP-UHFFFAOYSA-N
XLogP-0.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide 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

N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 75490504
3-piperidin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62209973
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
CID 123274591
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108556
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide (CID 28807813) is 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide is O=C(CCN1CCNCC1)NCc1cccnc1.
What is the InChIKey of 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HAGWWNPQSRMOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(3-7-17-8-5-14-6-9-17)16-11-12-2-1-4-15-10-12/h1-2,4,10,14H,3,5-9,11H2,(H,16,18).
What are the key properties of 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide?
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 28807813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).