N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide

C19H36N4O5S — CID 55682910

IUPACN-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(CC(=O)NCCCOC)CC2)C1
InChIInChI=1S/C19H36N4O5S/c1-3-14-29(26,27)23-8-4-6-17(15-23)19(25)22-11-9-21(10-12-22)16-18(24)20-7-5-13-28-2/h17H,3-16H2,1-2H3,(H,20,24)
InChIKeyZLVXFUQBRBHSJB-UHFFFAOYSA-N
MW432.59 g/mol
LogP-0.26
Rot. Bonds10

About N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55682910) has the molecular formula C19H36N4O5S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID55682910
Molecular FormulaC19H36N4O5S
Molecular Weight432.59 g/mol
Exact Mass432.24
IUPAC NameN-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(CC(=O)NCCCOC)CC2)C1
InChIInChI=1S/C19H36N4O5S/c1-3-14-29(26,27)23-8-4-6-17(15-23)19(25)22-11-9-21(10-12-22)16-18(24)20-7-5-13-28-2/h17H,3-16H2,1-2H3,(H,20,24)
InChIKeyZLVXFUQBRBHSJB-UHFFFAOYSA-N
XLogP-0.26
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55452649
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55415067
2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429131
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
N-(3-methoxypropyl)-2-[4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]piperazin-1-yl]acetamide
CID 56502847
N-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]benzamide
CID 42959145

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide (CID 55682910) is N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide is CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(CC(=O)NCCCOC)CC2)C1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ZLVXFUQBRBHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O5S/c1-3-14-29(26,27)23-8-4-6-17(15-23)19(25)22-11-9-21(10-12-22)16-18(24)20-7-5-13-28-2/h17H,3-16H2,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 432.59 g/mol, XLogP of -0.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55682910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).