4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide

C12H22N4O2 — CID 127345397

IUPAC4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCN(C)C2=O)CC1
InChIInChI=1S/C12H22N4O2/c1-3-15-6-8-16(9-7-15)12(18)13-10-4-5-14(2)11(10)17/h10H,3-9H2,1-2H3,(H,13,18)
InChIKeyZRUBDFVPUCAFRW-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.44
Rot. Bonds2

About 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide

4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide (PubChem CID 127345397) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
PubChem CID127345397
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCN(C)C2=O)CC1
InChIInChI=1S/C12H22N4O2/c1-3-15-6-8-16(9-7-15)12(18)13-10-4-5-14(2)11(10)17/h10H,3-9H2,1-2H3,(H,13,18)
InChIKeyZRUBDFVPUCAFRW-UHFFFAOYSA-N
XLogP-0.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

3-[1-(1-ethylpiperidin-4-yl)ethylamino]-1-methylpyrrolidin-2-one
CID 106252496
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
1-ethyl-1-methyl-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 103683287
4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 122568943
2-[3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106258414
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106256004
4-ethyl-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]piperazine-1-carboxamide
CID 95969263
N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide
CID 4628080
(2S)-4-hydroxy-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 106257927

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide (CID 127345397) is 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)NC2CCN(C)C2=O)CC1.
What is the InChIKey of 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The InChIKey is ZRUBDFVPUCAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-15-6-8-16(9-7-15)12(18)13-10-4-5-14(2)11(10)17/h10H,3-9H2,1-2H3,(H,13,18).
What are the key properties of 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 127345397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).