N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C20H27N5O — CID 6259677

IUPACN-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-23(2)18-8-6-17(7-9-18)22-20(26)10-12-24-13-15-25(16-14-24)19-5-3-4-11-21-19/h3-9,11H,10,12-16H2,1-2H3,(H,22,26)
InChIKeyCTLYCQOJPGVIOR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.30
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 6259677) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID6259677
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-23(2)18-8-6-17(7-9-18)22-20(26)10-12-24-13-15-25(16-14-24)19-5-3-4-11-21-19/h3-9,11H,10,12-16H2,1-2H3,(H,22,26)
InChIKeyCTLYCQOJPGVIOR-UHFFFAOYSA-N
XLogP2.30
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)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-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 5014296
N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
N-(9-ethylcarbazol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 22458846
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834
N-(1H-indol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71867008
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
CID 164628176
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119572479
N-[4-(dimethylamino)phenyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108951025

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 6259677) is N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CN(C)c1ccc(NC(=O)CCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is CTLYCQOJPGVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-23(2)18-8-6-17(7-9-18)22-20(26)10-12-24-13-15-25(16-14-24)19-5-3-4-11-21-19/h3-9,11H,10,12-16H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 6259677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).