N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide

C12H22N4O2 — CID 79154087

IUPACN,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-14(2)12(18)16-7-3-4-10(16)11(17)15-8-5-13-6-9-15/h10,13H,3-9H2,1-2H3
InChIKeyCUSYVKRZUIOJSN-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.44
Rot. Bonds1

About N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide

N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 79154087) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
PubChem CID79154087
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-14(2)12(18)16-7-3-4-10(16)11(17)15-8-5-13-6-9-15/h10,13H,3-9H2,1-2H3
InChIKeyCUSYVKRZUIOJSN-UHFFFAOYSA-N
XLogP-0.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide (CID 79154087) is N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide is CN(C)C(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is CUSYVKRZUIOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-14(2)12(18)16-7-3-4-10(16)11(17)15-8-5-13-6-9-15/h10,13H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide?
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79154087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).