2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C16H27N5O — CID 108995090

IUPAC2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(C)CCCNCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H27N5O/c1-19(2)9-5-7-17-14-16(22)21-12-10-20(11-13-21)15-6-3-4-8-18-15/h3-4,6,8,17H,5,7,9-14H2,1-2H3
InChIKeyFSSYOWMCBAWBAZ-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.27
Rot. Bonds7

About 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108995090) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID108995090
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(C)CCCNCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H27N5O/c1-19(2)9-5-7-17-14-16(22)21-12-10-20(11-13-21)15-6-3-4-8-18-15/h3-4,6,8,17H,5,7,9-14H2,1-2H3
InChIKeyFSSYOWMCBAWBAZ-UHFFFAOYSA-N
XLogP0.27
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109168348
2-[2-(2-fluorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109000150
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002818
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-[3-(dimethylamino)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109344900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 108995090) is 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CN(C)CCCNCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FSSYOWMCBAWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19(2)9-5-7-17-14-16(22)21-12-10-20(11-13-21)15-6-3-4-8-18-15/h3-4,6,8,17H,5,7,9-14H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 305.43 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108995090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).