3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C17H28N4O — CID 109030233

IUPAC3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCCCCNCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N4O/c1-2-3-5-9-18-11-8-17(22)21-14-12-20(13-15-21)16-7-4-6-10-19-16/h4,6-7,10,18H,2-3,5,8-9,11-15H2,1H3
InChIKeyCNQPNDGTEQLSQW-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.90
Rot. Bonds8

About 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 109030233) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID109030233
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCCCCNCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N4O/c1-2-3-5-9-18-11-8-17(22)21-14-12-20(13-15-21)16-7-4-6-10-19-16/h4,6-7,10,18H,2-3,5,8-9,11-15H2,1H3
InChIKeyCNQPNDGTEQLSQW-UHFFFAOYSA-N
XLogP1.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-N-pentylmethanesulfonamide
CID 113141293
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090

Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 109030233) is 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CCCCCNCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is CNQPNDGTEQLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-3-5-9-18-11-8-17(22)21-14-12-20(13-15-21)16-7-4-6-10-19-16/h4,6-7,10,18H,2-3,5,8-9,11-15H2,1H3.
What are the key properties of 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 304.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109030233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).