N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C24H38N4O5 — CID 94078088

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H38N4O5/c1-5-26-11-6-7-19(26)17-28(12-8-22(29)27-13-9-25-10-14-27)24(30)18-15-20(31-2)23(33-4)21(16-18)32-3/h15-16,19,25H,5-14,17H2,1-4H3/t19-/m1/s1
InChIKeyTYPXEBMTGDSAIM-LJQANCHMSA-N
MW462.59 g/mol
LogP1.46
Rot. Bonds10

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 94078088) has the molecular formula C24H38N4O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID94078088
Molecular FormulaC24H38N4O5
Molecular Weight462.59 g/mol
Exact Mass462.28
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H38N4O5/c1-5-26-11-6-7-19(26)17-28(12-8-22(29)27-13-9-25-10-14-27)24(30)18-15-20(31-2)23(33-4)21(16-18)32-3/h15-16,19,25H,5-14,17H2,1-4H3/t19-/m1/s1
InChIKeyTYPXEBMTGDSAIM-LJQANCHMSA-N
XLogP1.46
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323120
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 94078074
3,4,5-trimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057957
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323117
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 68682538
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776022
3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779334
4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 92501974
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,4,5-trimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 92723611
2,2,2-trifluoroacetic acid;3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propan-2-ylbenzamide
CID 146057250
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788467
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
CID 175104597

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 94078088) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is TYPXEBMTGDSAIM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H38N4O5/c1-5-26-11-6-7-19(26)17-28(12-8-22(29)27-13-9-25-10-14-27)24(30)18-15-20(31-2)23(33-4)21(16-18)32-3/h15-16,19,25H,5-14,17H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 462.59 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 94078088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).