2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide

C26H40N4O3 — CID 55853449

IUPAC2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCC1CCCCN1C(=O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C26H40N4O3/c1-22-7-5-6-12-30(22)25(32)20-29-15-13-28(14-16-29)19-24(31)27-21-26(10-17-33-18-11-26)23-8-3-2-4-9-23/h2-4,8-9,22H,5-7,10-21H2,1H3,(H,27,31)
InChIKeyOEMAIIADIPWBIT-UHFFFAOYSA-N
MW456.63 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 55853449) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID55853449
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC Name2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCC1CCCCN1C(=O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C26H40N4O3/c1-22-7-5-6-12-30(22)25(32)20-29-15-13-28(14-16-29)19-24(31)27-21-26(10-17-33-18-11-26)23-8-3-2-4-9-23/h2-4,8-9,22H,5-7,10-21H2,1H3,(H,27,31)
InChIKeyOEMAIIADIPWBIT-UHFFFAOYSA-N
XLogP1.87
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide with MolForge

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 56502005
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55831338
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37461814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 55853449) is 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide is CC1CCCCN1C(=O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is OEMAIIADIPWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-22-7-5-6-12-30(22)25(32)20-29-15-13-28(14-16-29)19-24(31)27-21-26(10-17-33-18-11-26)23-8-3-2-4-9-23/h2-4,8-9,22H,5-7,10-21H2,1H3,(H,27,31).
What are the key properties of 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 456.63 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 55853449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).