(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C11H17N3O — CID 82235754

IUPAC(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2CC2N)CC1
InChIInChI=1S/C11H17N3O/c1-2-3-13-4-6-14(7-5-13)11(15)9-8-10(9)12/h1,9-10H,3-8,12H2
InChIKeyYGYPGOWMUYICGH-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.89
Rot. Bonds2

About (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 82235754) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID82235754
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)C2CC2N)CC1
InChIInChI=1S/C11H17N3O/c1-2-3-13-4-6-14(7-5-13)11(15)9-8-10(9)12/h1,9-10H,3-8,12H2
InChIKeyYGYPGOWMUYICGH-UHFFFAOYSA-N
XLogP-0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(4-prop-2-ynylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114390717
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
[2-(3-fluorophenyl)cyclopropyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862023
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 93375251
[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 66254425
azepan-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 64562668
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723
(2-aminocyclopropyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 82235812
ethane;propyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 143179538

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 82235754) is (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)C2CC2N)CC1.
What is the InChIKey of (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is YGYPGOWMUYICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-13-4-6-14(7-5-13)11(15)9-8-10(9)12/h1,9-10H,3-8,12H2.
What are the key properties of (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopropyl)-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 82235754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).