1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one

C14H29N3O — CID 66599183

IUPAC1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one
SMILESCCNCCCCCN1CCN(CC(C)=O)CC1
InChIInChI=1S/C14H29N3O/c1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18/h15H,3-13H2,1-2H3
InChIKeyAFJOSXWCAWICSX-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.97
Rot. Bonds9

About 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one

1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one (PubChem CID 66599183) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one
PubChem CID66599183
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one
SMILESCCNCCCCCN1CCN(CC(C)=O)CC1
InChIInChI=1S/C14H29N3O/c1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18/h15H,3-13H2,1-2H3
InChIKeyAFJOSXWCAWICSX-UHFFFAOYSA-N
XLogP0.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.97
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-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
5-(4-cyclopentylpiperazin-1-yl)-N-ethylpentan-1-amine
CID 62446737
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
8-(ethylamino)octan-2-one
CID 170584616
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62448794
1-[4-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-methylbutan-2-one
CID 176576642
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160
N,N'-diethylpentane-1,5-diamine
CID 15013244
5-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethylpentan-1-amine
CID 107456090
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one (CID 66599183) is 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one is CCNCCCCCN1CCN(CC(C)=O)CC1.
What is the InChIKey of 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one?
The InChIKey is AFJOSXWCAWICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-15-7-5-4-6-8-16-9-11-17(12-10-16)13-14(2)18/h15H,3-13H2,1-2H3.
What are the key properties of 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one?
1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one has a molecular weight of 255.41 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 66599183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).