2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

C17H32N4O3 — CID 71872029

IUPAC2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CC(C)C(N2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C17H32N4O3/c1-14-11-19(13-17(23)18-5-4-10-24-3)12-16(14)21-8-6-20(7-9-21)15(2)22/h14,16H,4-13H2,1-3H3,(H,18,23)
InChIKeyJYHVJQUEINKJGC-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.38
Rot. Bonds7

About 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 71872029) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID71872029
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CC(C)C(N2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C17H32N4O3/c1-14-11-19(13-17(23)18-5-4-10-24-3)12-16(14)21-8-6-20(7-9-21)15(2)22/h14,16H,4-13H2,1-3H3,(H,18,23)
InChIKeyJYHVJQUEINKJGC-UHFFFAOYSA-N
XLogP-0.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 98772786
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55432331
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432285
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 71872029) is 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CC(C)C(N2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is JYHVJQUEINKJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-14-11-19(13-17(23)18-5-4-10-24-3)12-16(14)21-8-6-20(7-9-21)15(2)22/h14,16H,4-13H2,1-3H3,(H,18,23).
What are the key properties of 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of -0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 71872029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).