2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide

C23H36N4O — CID 71932300

IUPAC2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCCN1CCN(C2CCN(CC(=O)NCC3(c4ccccc4)CCC3)C2)CC1
InChIInChI=1S/C23H36N4O/c1-2-25-13-15-27(16-14-25)21-9-12-26(17-21)18-22(28)24-19-23(10-6-11-23)20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3,(H,24,28)
InChIKeyOMCXDKQMIIRUTF-UHFFFAOYSA-N
MW384.57 g/mol
LogP1.94
Rot. Bonds7

About 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide

2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 71932300) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID71932300
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCCN1CCN(C2CCN(CC(=O)NCC3(c4ccccc4)CCC3)C2)CC1
InChIInChI=1S/C23H36N4O/c1-2-25-13-15-27(16-14-25)21-9-12-26(17-21)18-22(28)24-19-23(10-6-11-23)20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3,(H,24,28)
InChIKeyOMCXDKQMIIRUTF-UHFFFAOYSA-N
XLogP1.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063
2-[(1R,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 124884559
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37461814
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 120773560

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 71932300) is 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide is CCN1CCN(C2CCN(CC(=O)NCC3(c4ccccc4)CCC3)C2)CC1.
What is the InChIKey of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is OMCXDKQMIIRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-2-25-13-15-27(16-14-25)21-9-12-26(17-21)18-22(28)24-19-23(10-6-11-23)20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3,(H,24,28).
What are the key properties of 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 384.57 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 71932300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).