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

C17H32N4O3 — CID 124840360

IUPAC2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCCOCCN1CCN(CC(=O)N[C@@H]2CCCCNC2=O)C[C@H]1C
InChIInChI=1S/C17H32N4O3/c1-3-24-11-10-21-9-8-20(12-14(21)2)13-16(22)19-15-6-4-5-7-18-17(15)23/h14-15H,3-13H2,1-2H3,(H,18,23)(H,19,22)/t14-,15-/m1/s1
InChIKeyYZSMGDHLTDNHNQ-HUUCEWRRSA-N
MW340.47 g/mol
LogP-0.19
Rot. Bonds7

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

2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 124840360) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID124840360
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCCOCCN1CCN(CC(=O)N[C@@H]2CCCCNC2=O)C[C@H]1C
InChIInChI=1S/C17H32N4O3/c1-3-24-11-10-21-9-8-20(12-14(21)2)13-16(22)19-15-6-4-5-7-18-17(15)23/h14-15H,3-13H2,1-2H3,(H,18,23)(H,19,22)/t14-,15-/m1/s1
InChIKeyYZSMGDHLTDNHNQ-HUUCEWRRSA-N
XLogP-0.19
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124840329
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 62837563
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 124813298
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914
2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95352390
3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124780397
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide (CID 124840360) is 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide is CCOCCN1CCN(CC(=O)N[C@@H]2CCCCNC2=O)C[C@H]1C.
What is the InChIKey of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is YZSMGDHLTDNHNQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-3-24-11-10-21-9-8-20(12-14(21)2)13-16(22)19-15-6-4-5-7-18-17(15)23/h14-15H,3-13H2,1-2H3,(H,18,23)(H,19,22)/t14-,15-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide?
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 124840360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).