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

C16H30N4O3 — CID 124840329

IUPAC2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCOCCN1CCN(CC(=O)N[C@H]2CCCCNC2=O)C[C@H]1C
InChIInChI=1S/C16H30N4O3/c1-13-11-19(7-8-20(13)9-10-23-2)12-15(21)18-14-5-3-4-6-17-16(14)22/h13-14H,3-12H2,1-2H3,(H,17,22)(H,18,21)/t13-,14+/m1/s1
InChIKeyXLQUOSCIKLTMSA-KGLIPLIRSA-N
MW326.44 g/mol
LogP-0.58
Rot. Bonds6

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

2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 124840329) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID124840329
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCOCCN1CCN(CC(=O)N[C@H]2CCCCNC2=O)C[C@H]1C
InChIInChI=1S/C16H30N4O3/c1-13-11-19(7-8-20(13)9-10-23-2)12-15(21)18-14-5-3-4-6-17-16(14)22/h13-14H,3-12H2,1-2H3,(H,17,22)(H,18,21)/t13-,14+/m1/s1
InChIKeyXLQUOSCIKLTMSA-KGLIPLIRSA-N
XLogP-0.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide with MolForge

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Related Compounds

2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914
2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 62837563
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 98765571
2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 95322887
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 95781787
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 56802282

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 124840329) is 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide is COCCN1CCN(CC(=O)N[C@H]2CCCCNC2=O)C[C@H]1C.
What is the InChIKey of 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is XLQUOSCIKLTMSA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-13-11-19(7-8-20(13)9-10-23-2)12-15(21)18-14-5-3-4-6-17-16(14)22/h13-14H,3-12H2,1-2H3,(H,17,22)(H,18,21)/t13-,14+/m1/s1.
What are the key properties of 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide?
2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 124840329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).