1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone

C11H21N3O — CID 89072510

IUPAC1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)N2CC2)CC1
InChIInChI=1S/C11H21N3O/c1-2-3-12-4-6-13(7-5-12)10-11(15)14-8-9-14/h2-10H2,1H3
InChIKeyPVDZNYWXAXOKLM-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.14
Rot. Bonds4

About 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone

1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone (PubChem CID 89072510) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
PubChem CID89072510
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)N2CC2)CC1
InChIInChI=1S/C11H21N3O/c1-2-3-12-4-6-13(7-5-12)10-11(15)14-8-9-14/h2-10H2,1H3
InChIKeyPVDZNYWXAXOKLM-UHFFFAOYSA-N
XLogP-0.14
TPSA26.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
2-(azepan-1-yl)-1-[4-(2-propoxyethyl)piperazin-1-yl]ethanone
CID 131910093
2-[4,7-bis(carboxylatomethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 21301798
4-propylpiperazine-1-carboxamide
CID 16792615
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone
CID 170031552
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
CID 143404437

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone (CID 89072510) is 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(CC(=O)N2CC2)CC1.
What is the InChIKey of 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is PVDZNYWXAXOKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-12-4-6-13(7-5-12)10-11(15)14-8-9-14/h2-10H2,1H3.
What are the key properties of 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone?
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 211.31 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 89072510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).