4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C18H30N4O2 — CID 71979650

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(C2CC3CCC2C3)CC1)N1CCCC1
InChIInChI=1S/C18H30N4O2/c23-17(21-5-1-2-6-21)13-19-18(24)22-9-7-20(8-10-22)16-12-14-3-4-15(16)11-14/h14-16H,1-13H2,(H,19,24)
InChIKeyJMCFXUQZNQQSFU-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.12
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 71979650) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID71979650
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(CNC(=O)N1CCN(C2CC3CCC2C3)CC1)N1CCCC1
InChIInChI=1S/C18H30N4O2/c23-17(21-5-1-2-6-21)13-19-18(24)22-9-7-20(8-10-22)16-12-14-3-4-15(16)11-14/h14-16H,1-13H2,(H,19,24)
InChIKeyJMCFXUQZNQQSFU-UHFFFAOYSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(3-acetamidopropyl)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 129378400
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800182
N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1-carboxamide
CID 115641993
1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 129378387
4-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894988
4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 98344798
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 98344931
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
(2R)-2-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894956
3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954098
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 71979650) is 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is O=C(CNC(=O)N1CCN(C2CC3CCC2C3)CC1)N1CCCC1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is JMCFXUQZNQQSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-17(21-5-1-2-6-21)13-19-18(24)22-9-7-20(8-10-22)16-12-14-3-4-15(16)11-14/h14-16H,1-13H2,(H,19,24).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71979650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).