3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide

C12H24N4O — CID 82511399

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCN2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-11-2-6-16(10-11)12(17)14-5-9-15-7-3-13-4-8-15/h11,13H,2-10H2,1H3,(H,14,17)
InChIKeyHCUKPFBURABMOO-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.06
Rot. Bonds3

About 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide

3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 82511399) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID82511399
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCN2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-11-2-6-16(10-11)12(17)14-5-9-15-7-3-13-4-8-15/h11,13H,2-10H2,1H3,(H,14,17)
InChIKeyHCUKPFBURABMOO-UHFFFAOYSA-N
XLogP-0.06
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 80548101
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 110896167
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
2-[1-(3-piperazin-1-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682977
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
1-[(E)-2-cyclopropylethenyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915794
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide (CID 82511399) is 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide is CC1CCN(C(=O)NCCN2CCNCC2)C1.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is HCUKPFBURABMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11-2-6-16(10-11)12(17)14-5-9-15-7-3-13-4-8-15/h11,13H,2-10H2,1H3,(H,14,17).
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide?
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 82511399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).