3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C23H35N5O3 — CID 46323117

IUPAC3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCN1CCCC1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C23H35N5O3/c1-3-26-12-5-8-21(26)17-28(13-9-22(30)27-14-10-24-11-15-27)23(31)19-6-4-7-20(16-19)25-18(2)29/h4,6-7,16,21,24H,3,5,8-15,17H2,1-2H3,(H,25,29)
InChIKeyIZEOGQRUXOOHDV-UHFFFAOYSA-N
MW429.57 g/mol
LogP1.39
Rot. Bonds8

About 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 46323117) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID46323117
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCN1CCCC1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C23H35N5O3/c1-3-26-12-5-8-21(26)17-28(13-9-22(30)27-14-10-24-11-15-27)23(31)19-6-4-7-20(16-19)25-18(2)29/h4,6-7,16,21,24H,3,5,8-15,17H2,1-2H3,(H,25,29)
InChIKeyIZEOGQRUXOOHDV-UHFFFAOYSA-N
XLogP1.39
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078074
4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 92501974
3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779385
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078088
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323120
3-bromo-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779638
3-cyano-N-[2-(dimethylamino)ethyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 94820244
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 46323117) is 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CCN1CCCC1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is IZEOGQRUXOOHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-3-26-12-5-8-21(26)17-28(13-9-22(30)27-14-10-24-11-15-27)23(31)19-6-4-7-20(16-19)25-18(2)29/h4,6-7,16,21,24H,3,5,8-15,17H2,1-2H3,(H,25,29).
What are the key properties of 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 429.57 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 46323117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).