N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide

C20H31N3O2 — CID 124778855

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
SMILESCOCCN1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C
InChIInChI=1S/C20H31N3O2/c1-16-14-22(10-11-23(16)12-13-25-2)15-19(24)21-20(18-8-9-18)17-6-4-3-5-7-17/h3-7,16,18,20H,8-15H2,1-2H3,(H,21,24)/t16-,20-/m1/s1
InChIKeyLZXNSKHQUFUTRB-OXQOHEQNSA-N
MW345.49 g/mol
LogP1.91
Rot. Bonds8

About N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide

N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide (PubChem CID 124778855) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
PubChem CID124778855
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
SMILESCOCCN1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C
InChIInChI=1S/C20H31N3O2/c1-16-14-22(10-11-23(16)12-13-25-2)15-19(24)21-20(18-8-9-18)17-6-4-3-5-7-17/h3-7,16,18,20H,8-15H2,1-2H3,(H,21,24)/t16-,20-/m1/s1
InChIKeyLZXNSKHQUFUTRB-OXQOHEQNSA-N
XLogP1.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 98761810
3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95322646
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877589
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 56802282
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95295562
2-[4-[2-[[cyclopentyl-(4-fluorophenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502696

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide (CID 124778855) is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide is COCCN1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is LZXNSKHQUFUTRB-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-14-22(10-11-23(16)12-13-25-2)15-19(24)21-20(18-8-9-18)17-6-4-3-5-7-17/h3-7,16,18,20H,8-15H2,1-2H3,(H,21,24)/t16-,20-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 124778855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).