(2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone

C12H23N3O — CID 83227698

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone
SMILESCCC1CCC(C)N1C(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O/c1-3-11-5-4-10(2)15(11)12(16)14-8-6-13-7-9-14/h10-11,13H,3-9H2,1-2H3
InChIKeyWMZNHKSLYSJJMG-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.27
Rot. Bonds1

About (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone

(2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone (PubChem CID 83227698) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone
PubChem CID83227698
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone
SMILESCCC1CCC(C)N1C(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O/c1-3-11-5-4-10(2)15(11)12(16)14-8-6-13-7-9-14/h10-11,13H,3-9H2,1-2H3
InChIKeyWMZNHKSLYSJJMG-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83219396
1-(2-ethyl-5-methylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 83227216
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 83220649
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 106707669
1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 83227382

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone (CID 83227698) is (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone is CCC1CCC(C)N1C(=O)N1CCNCC1.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone?
The InChIKey is WMZNHKSLYSJJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-11-5-4-10(2)15(11)12(16)14-8-6-13-7-9-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 83227698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).