4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide

C11H19N3O2 — CID 135165339

IUPAC4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide
SMILESC=CC(=O)N1CCN(C(C)C)CC1C(N)=O
InChIInChI=1S/C11H19N3O2/c1-4-10(15)14-6-5-13(8(2)3)7-9(14)11(12)16/h4,8-9H,1,5-7H2,2-3H3,(H2,12,16)
InChIKeyNEFQOKMJSVRNQA-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.42
Rot. Bonds3

About 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide

4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide (PubChem CID 135165339) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide
PubChem CID135165339
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide
SMILESC=CC(=O)N1CCN(C(C)C)CC1C(N)=O
InChIInChI=1S/C11H19N3O2/c1-4-10(15)14-6-5-13(8(2)3)7-9(14)11(12)16/h4,8-9H,1,5-7H2,2-3H3,(H2,12,16)
InChIKeyNEFQOKMJSVRNQA-UHFFFAOYSA-N
XLogP-0.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide?
The IUPAC name of 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide (CID 135165339) is 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide is C=CC(=O)N1CCN(C(C)C)CC1C(N)=O.
What is the InChIKey of 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide?
The InChIKey is NEFQOKMJSVRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-10(15)14-6-5-13(8(2)3)7-9(14)11(12)16/h4,8-9H,1,5-7H2,2-3H3,(H2,12,16).
What are the key properties of 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide?
4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide is sourced from PubChem (CID 135165339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).