1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one

C15H24N4O — CID 109017464

IUPAC1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one
SMILESCCN1CCN(C(=O)CCNCc2cccnc2)CC1
InChIInChI=1S/C15H24N4O/c1-2-18-8-10-19(11-9-18)15(20)5-7-17-13-14-4-3-6-16-12-14/h3-4,6,12,17H,2,5,7-11,13H2,1H3
InChIKeyPTSBFOUNELNNTB-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.73
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one

1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one (PubChem CID 109017464) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one
PubChem CID109017464
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one
SMILESCCN1CCN(C(=O)CCNCc2cccnc2)CC1
InChIInChI=1S/C15H24N4O/c1-2-18-8-10-19(11-9-18)15(20)5-7-17-13-14-4-3-6-16-12-14/h3-4,6,12,17H,2,5,7-11,13H2,1H3
InChIKeyPTSBFOUNELNNTB-UHFFFAOYSA-N
XLogP0.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one 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

3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
1-(4-ethylpiperazin-1-yl)-3-[(3S,4R)-1-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpiperidin-3-yl]propan-1-one
CID 126464361
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 7087530
1-(4-benzylpiperazin-1-yl)-3-(propylamino)propan-1-one
CID 109011519
1-(4-methylphenyl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 94270981
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one (CID 109017464) is 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one is CCN1CCN(C(=O)CCNCc2cccnc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one?
The InChIKey is PTSBFOUNELNNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-18-8-10-19(11-9-18)15(20)5-7-17-13-14-4-3-6-16-12-14/h3-4,6,12,17H,2,5,7-11,13H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one is sourced from PubChem (CID 109017464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).