N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide

C13H19N3O — CID 71917635

IUPACN,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide
SMILESC#CCN1CCN(CC#C)C(C(=O)N(C)C)C1
InChIInChI=1S/C13H19N3O/c1-5-7-15-9-10-16(8-6-2)12(11-15)13(17)14(3)4/h1-2,12H,7-11H2,3-4H3
InChIKeyIFAURSRTESFABL-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.67
Rot. Bonds3

About N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide

N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide (PubChem CID 71917635) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide
PubChem CID71917635
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide
SMILESC#CCN1CCN(CC#C)C(C(=O)N(C)C)C1
InChIInChI=1S/C13H19N3O/c1-5-7-15-9-10-16(8-6-2)12(11-15)13(17)14(3)4/h1-2,12H,7-11H2,3-4H3
InChIKeyIFAURSRTESFABL-UHFFFAOYSA-N
XLogP-0.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
CID 3229464
2-(4-ethylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
CID 3229477
(2S)-N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide
CID 97060433
(2S)-1,4-bis(but-2-ynyl)-N,N-dimethylpiperazine-2-carboxamide
CID 97089914
N,N-dimethyl-1,4-bis(2-methylpropyl)piperazine-2-carboxamide
CID 71852861
3-Methyl-1,4-di(propan-2-yl)piperazine-2,5-dione
CID 13938992
N-ethyl-N,1,4-trimethylpiperazine-2-carboxamide
CID 18740879
4-Acetyl-1-ethyl-3-methylpiperazin-2-one
CID 20683717
N,N-dimethyl-2-(4-methyl-2-oxopiperazin-1-yl)propanamide
CID 20683731
5-Ethyl-1,3,4-trimethylpiperazin-2-one
CID 20750671
Ethane;1,3,4-trimethylpiperazin-2-one
CID 54247958
1,3-Dimethyl-4-propanoylpiperazin-2-one
CID 54449584

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide (CID 71917635) is N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide is C#CCN1CCN(CC#C)C(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide?
The InChIKey is IFAURSRTESFABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-7-15-9-10-16(8-6-2)12(11-15)13(17)14(3)4/h1-2,12H,7-11H2,3-4H3.
What are the key properties of N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide?
N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,4-bis(prop-2-ynyl)piperazine-2-carboxamide is sourced from PubChem (CID 71917635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).