1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide

C11H21N3O — CID 77100640

IUPAC1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide
SMILESCC=CCN1CCNCC1C(=O)N(C)C
InChIInChI=1S/C11H21N3O/c1-4-5-7-14-8-6-12-9-10(14)11(15)13(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyDGKHAZPUUBDKTN-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.08
Rot. Bonds3

About 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide

1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 77100640) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide
PubChem CID77100640
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide
SMILESCC=CCN1CCNCC1C(=O)N(C)C
InChIInChI=1S/C11H21N3O/c1-4-5-7-14-8-6-12-9-10(14)11(15)13(2)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyDGKHAZPUUBDKTN-UHFFFAOYSA-N
XLogP-0.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81093679
methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621412
1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 113490132
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 79427851
ethyl 1-(3-chloroprop-2-enyl)piperazine-2-carboxylate
CID 77074295
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
1-[(3-chloro-5-fluorophenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 114453785
1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylic acid
CID 80549154
1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
CID 21295711
1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
CID 107897882
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide (CID 77100640) is 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide is CC=CCN1CCNCC1C(=O)N(C)C.
What is the InChIKey of 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is DGKHAZPUUBDKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-7-14-8-6-12-9-10(14)11(15)13(2)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide?
1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 211.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 77100640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).