2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C20H38N4O3 — CID 55432285

IUPAC2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(C)C(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C20H38N4O3/c1-16-12-17(2)14-24(13-16)20(26)18(3)23-9-7-22(8-10-23)15-19(25)21-6-5-11-27-4/h16-18H,5-15H2,1-4H3,(H,21,25)
InChIKeyGFZFURCBNNKXSJ-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.65
Rot. Bonds8

About 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55432285) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55432285
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(C)C(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C20H38N4O3/c1-16-12-17(2)14-24(13-16)20(26)18(3)23-9-7-22(8-10-23)15-19(25)21-6-5-11-27-4/h16-18H,5-15H2,1-4H3,(H,21,25)
InChIKeyGFZFURCBNNKXSJ-UHFFFAOYSA-N
XLogP0.65
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.65
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

N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55432331
2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 51731001
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[4-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435978
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
N-(2,3-dimethylphenyl)-2-[4-[(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]acetamide
CID 9435295
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55432285) is 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(C)C(=O)N2CC(C)CC(C)C2)CC1.
What is the InChIKey of 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is GFZFURCBNNKXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-16-12-17(2)14-24(13-16)20(26)18(3)23-9-7-22(8-10-23)15-19(25)21-6-5-11-27-4/h16-18H,5-15H2,1-4H3,(H,21,25).
What are the key properties of 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55432285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).