N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide

C12H22N4O2 — CID 107436470

IUPACN-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H22N4O2/c1-15(6-7-16-4-2-3-5-16)12(18)10-8-14-11(17)9-13-10/h10,13H,2-9H2,1H3,(H,14,17)
InChIKeyNBTPTLBIEUAALY-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds4

About N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide

N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide (PubChem CID 107436470) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide
PubChem CID107436470
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H22N4O2/c1-15(6-7-16-4-2-3-5-16)12(18)10-8-14-11(17)9-13-10/h10,13H,2-9H2,1H3,(H,14,17)
InChIKeyNBTPTLBIEUAALY-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
N-methyl-5-oxo-N-(2-phenylethyl)piperazine-2-carboxamide
CID 107435243
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435385
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 107433918
N-[(4-cyanophenyl)methyl]-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435093
N-[2-(azepan-1-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122559026

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide (CID 107436470) is N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide is CN(CCN1CCCC1)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide?
The InChIKey is NBTPTLBIEUAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-15(6-7-16-4-2-3-5-16)12(18)10-8-14-11(17)9-13-10/h10,13H,2-9H2,1H3,(H,14,17).
What are the key properties of N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide?
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 107436470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).