N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide

C10H17N3O2 — CID 60949594

IUPACN,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
SMILESC=CC(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C10H17N3O2/c1-4-9(14)12-5-7-13(8-6-12)10(15)11(2)3/h4H,1,5-8H2,2-3H3
InChIKeyOQILDKUMFRUEEI-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.00
Rot. Bonds1

About N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide

N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide (PubChem CID 60949594) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
PubChem CID60949594
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
SMILESC=CC(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C10H17N3O2/c1-4-9(14)12-5-7-13(8-6-12)10(15)11(2)3/h4H,1,5-8H2,2-3H3
InChIKeyOQILDKUMFRUEEI-UHFFFAOYSA-N
XLogP-0.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide (CID 60949594) is N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide is C=CC(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide?
The InChIKey is OQILDKUMFRUEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-9(14)12-5-7-13(8-6-12)10(15)11(2)3/h4H,1,5-8H2,2-3H3.
What are the key properties of N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide?
N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide is sourced from PubChem (CID 60949594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).