2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide

C23H27N3O3 — CID 45208072

IUPAC2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
SMILESCOc1cccc(CN2CCNC(=O)C2CC(=O)NC2(c3ccccc3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-29-19-9-5-6-17(14-19)16-26-13-12-24-22(28)20(26)15-21(27)25-23(10-11-23)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyKJMLMOYDAMHBHE-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.19
Rot. Bonds7

About 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide

2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide (PubChem CID 45208072) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
PubChem CID45208072
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
SMILESCOc1cccc(CN2CCNC(=O)C2CC(=O)NC2(c3ccccc3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-29-19-9-5-6-17(14-19)16-26-13-12-24-22(28)20(26)15-21(27)25-23(10-11-23)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyKJMLMOYDAMHBHE-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45196801
2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 25275532
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 25278630
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
CID 26400941
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45186168
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848549
N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 25288787
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide (CID 45208072) is 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide is COc1cccc(CN2CCNC(=O)C2CC(=O)NC2(c3ccccc3)CC2)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide?
The InChIKey is KJMLMOYDAMHBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-19-9-5-6-17(14-19)16-26-13-12-24-22(28)20(26)15-21(27)25-23(10-11-23)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide?
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide is sourced from PubChem (CID 45208072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).