1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one

C12H20N2O — CID 170583821

IUPAC1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one
SMILESCCC#CCN1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-7-13-8-10-14(11-9-13)12(15)4-2/h3-4,7-11H2,1-2H3
InChIKeySITHEUURJAUADY-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds2

About 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one

1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one (PubChem CID 170583821) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one
PubChem CID170583821
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one
SMILESCCC#CCN1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-7-13-8-10-14(11-9-13)12(15)4-2/h3-4,7-11H2,1-2H3
InChIKeySITHEUURJAUADY-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pent-2-ynylpiperazin-1-yl)nonane-1,8-dione
CID 167521140
ethane;6-methoxy-1-(4-pent-2-ynylpiperazin-1-yl)hexan-1-one
CID 170584496
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
3-(4-methylpyrazol-1-yl)-1-(4-pent-2-ynyl-1,4-diazepan-1-yl)propan-1-one
CID 134696618
1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 145317159

Frequently Asked Questions

What is the IUPAC name of 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one (CID 170583821) is 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one is CCC#CCN1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one?
The InChIKey is SITHEUURJAUADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-6-7-13-8-10-14(11-9-13)12(15)4-2/h3-4,7-11H2,1-2H3.
What are the key properties of 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one?
1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one has a molecular weight of 208.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 170583821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).