N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

C21H29N5O2 — CID 42197313

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C21H29N5O2/c1-2-25-13-10-22-19(25)16-24-20(27)15-18-21(28)23-11-14-26(18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10,13,18H,2,6,9,11-12,14-16H2,1H3,(H,23,28)(H,24,27)/t18-/m1/s1
InChIKeyZEQGSHYPLIVMPQ-GOSISDBHSA-N
MW383.50 g/mol
LogP1.34
Rot. Bonds9

About N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 42197313) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID42197313
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C21H29N5O2/c1-2-25-13-10-22-19(25)16-24-20(27)15-18-21(28)23-11-14-26(18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10,13,18H,2,6,9,11-12,14-16H2,1H3,(H,23,28)(H,24,27)/t18-/m1/s1
InChIKeyZEQGSHYPLIVMPQ-GOSISDBHSA-N
XLogP1.34
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42245676
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-[(1-hydroxycyclohexyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45237223
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45177677
methyl 4-[[[2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetyl]amino]methyl]benzoate
CID 45205001
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
CID 56912365

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 42197313) is N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is ZEQGSHYPLIVMPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-25-13-10-22-19(25)16-24-20(27)15-18-21(28)23-11-14-26(18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10,13,18H,2,6,9,11-12,14-16H2,1H3,(H,23,28)(H,24,27)/t18-/m1/s1.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide?
N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 42197313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).