2-piperazin-1-yl-N-prop-2-ynylpropanamide

C10H17N3O — CID 43115715

IUPAC2-piperazin-1-yl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCNCC1
InChIInChI=1S/C10H17N3O/c1-3-4-12-10(14)9(2)13-7-5-11-6-8-13/h1,9,11H,4-8H2,2H3,(H,12,14)
InChIKeyYXMDUGUKTNNVFQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.97
Rot. Bonds3

About 2-piperazin-1-yl-N-prop-2-ynylpropanamide

2-piperazin-1-yl-N-prop-2-ynylpropanamide (PubChem CID 43115715) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-prop-2-ynylpropanamide
PubChem CID43115715
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-piperazin-1-yl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCNCC1
InChIInChI=1S/C10H17N3O/c1-3-4-12-10(14)9(2)13-7-5-11-6-8-13/h1,9,11H,4-8H2,2H3,(H,12,14)
InChIKeyYXMDUGUKTNNVFQ-UHFFFAOYSA-N
XLogP-0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-piperazin-1-yl-N-prop-2-ynylpropanamide (CID 43115715) is 2-piperazin-1-yl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-piperazin-1-yl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-prop-2-ynylpropanamide?
The InChIKey is YXMDUGUKTNNVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-12-10(14)9(2)13-7-5-11-6-8-13/h1,9,11H,4-8H2,2H3,(H,12,14).
What are the key properties of 2-piperazin-1-yl-N-prop-2-ynylpropanamide?
2-piperazin-1-yl-N-prop-2-ynylpropanamide has a molecular weight of 195.27 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43115715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).