N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

C18H34N4O3 — CID 55432331

IUPACN-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-16-4-7-22(8-5-16)18(24)15-21-11-9-20(10-12-21)14-17(23)19-6-3-13-25-2/h16H,3-15H2,1-2H3,(H,19,23)
InChIKeyQGBHFWKGGLAJNS-UHFFFAOYSA-N
MW354.50 g/mol
LogP0.02
Rot. Bonds8

About N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 55432331) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID55432331
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H34N4O3/c1-16-4-7-22(8-5-16)18(24)15-21-11-9-20(10-12-21)14-17(23)19-6-3-13-25-2/h16H,3-15H2,1-2H3,(H,19,23)
InChIKeyQGBHFWKGGLAJNS-UHFFFAOYSA-N
XLogP0.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 50.02
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-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
CID 56502847
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432285
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 55432331) is N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(CC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is QGBHFWKGGLAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-16-4-7-22(8-5-16)18(24)15-21-11-9-20(10-12-21)14-17(23)19-6-3-13-25-2/h16H,3-15H2,1-2H3,(H,19,23).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55432331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).