ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one

C13H29N3O — CID 177156065

IUPACethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
SMILESCC.CCNC(CN1CCNCC1)C(=O)CC
InChIInChI=1S/C11H23N3O.C2H6/c1-3-11(15)10(13-4-2)9-14-7-5-12-6-8-14;1-2/h10,12-13H,3-9H2,1-2H3;1-2H3
InChIKeyVUGXCLVSEIOBMJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.88
Rot. Bonds6

About ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one

ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one (PubChem CID 177156065) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one.

Molecular Properties

Compound Nameethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
PubChem CID177156065
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Nameethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
SMILESCC.CCNC(CN1CCNCC1)C(=O)CC
InChIInChI=1S/C11H23N3O.C2H6/c1-3-11(15)10(13-4-2)9-14-7-5-12-6-8-14;1-2/h10,12-13H,3-9H2,1-2H3;1-2H3
InChIKeyVUGXCLVSEIOBMJ-UHFFFAOYSA-N
XLogP0.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
2-(ethylamino)-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-one
CID 71154702
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
2-(ethylamino)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 177156047
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189074
4-(ethylamino)hexan-3-one
CID 91533412
1-cyclopentyl-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924032
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
CID 71154610
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one?
The IUPAC name of ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one (CID 177156065) is ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one.
What is the SMILES notation for ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one?
The canonical SMILES for ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one is CC.CCNC(CN1CCNCC1)C(=O)CC.
What is the InChIKey of ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one?
The InChIKey is VUGXCLVSEIOBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2H6/c1-3-11(15)10(13-4-2)9-14-7-5-12-6-8-14;1-2/h10,12-13H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one?
ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one has a molecular weight of 243.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one is sourced from PubChem (CID 177156065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).