N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C19H29N3O4S — CID 91916490

IUPACN-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H29N3O4S/c1-27(24,25)22-13-9-18(10-14-22)26-17-7-11-21(12-8-17)19(23)20-15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,20,23)
InChIKeyCCNZEROKKOKERS-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.80
Rot. Bonds5

About N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91916490) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91916490
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H29N3O4S/c1-27(24,25)22-13-9-18(10-14-22)26-17-7-11-21(12-8-17)19(23)20-15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,20,23)
InChIKeyCCNZEROKKOKERS-UHFFFAOYSA-N
XLogP1.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 45831196
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 51124416
N-[(3-Fluorophenyl)methyl]-4-[(1-methanesulfonylpiperidin-4-YL)oxy]piperidine-1-carboxamide
CID 91906266
N-[(4-Fluorophenyl)methyl]-4-[(1-methanesulfonylpiperidin-4-YL)oxy]piperidine-1-carboxamide
CID 91906273
4-(2-Ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907793
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-(3-fluorobenzyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91916461
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-(4-fluorobenzyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91916466
N-(4-fluorobenzyl)-4-(2-methoxyethoxy)tetrahydro-1(2H)-pyridinecarboxamide
CID 91918293
4-[(1-Benzylpiperidin-4-YL)oxy]-N-(3-ethoxypropyl)piperidine-1-carboxamide
CID 91906243
N-(2-Ethylphenyl)-4-[(1-methanesulfonylpiperidin-4-YL)oxy]piperidine-1-carboxamide
CID 91906252
4-[(1-Methanesulfonylpiperidin-4-YL)oxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91906262
N-(3-Ethylphenyl)-4-[(1-methanesulfonylpiperidin-4-YL)oxy]piperidine-1-carboxamide
CID 91906265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91916490) is N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is CS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3ccccc3)CC2)CC1.
What is the InChIKey of N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is CCNZEROKKOKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-27(24,25)22-13-9-18(10-14-22)26-17-7-11-21(12-8-17)19(23)20-15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3,(H,20,23).
What are the key properties of N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91916490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).