1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one

C16H28N4O — CID 131902087

IUPAC1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
SMILESCC(CN1CCN(C)CC1)NCCCn1ccccc1=O
InChIInChI=1S/C16H28N4O/c1-15(14-19-12-10-18(2)11-13-19)17-7-5-9-20-8-4-3-6-16(20)21/h3-4,6,8,15,17H,5,7,9-14H2,1-2H3
InChIKeyTUWUTOSTOTYWNU-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.46
Rot. Bonds7

About 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one

1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one (PubChem CID 131902087) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
PubChem CID131902087
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
SMILESCC(CN1CCN(C)CC1)NCCCn1ccccc1=O
InChIInChI=1S/C16H28N4O/c1-15(14-19-12-10-18(2)11-13-19)17-7-5-9-20-8-4-3-6-16(20)21/h3-4,6,8,15,17H,5,7,9-14H2,1-2H3
InChIKeyTUWUTOSTOTYWNU-UHFFFAOYSA-N
XLogP0.46
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.46
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

1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82898587
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
3-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 115676590
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one?
The IUPAC name of 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one (CID 131902087) is 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one?
The canonical SMILES for 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one is CC(CN1CCN(C)CC1)NCCCn1ccccc1=O.
What is the InChIKey of 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one?
The InChIKey is TUWUTOSTOTYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(14-19-12-10-18(2)11-13-19)17-7-5-9-20-8-4-3-6-16(20)21/h3-4,6,8,15,17H,5,7,9-14H2,1-2H3.
What are the key properties of 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one?
1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one has a molecular weight of 292.43 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one is sourced from PubChem (CID 131902087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).