N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C20H31N3O4S — CID 91906252

IUPACN-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-3-16-6-4-5-7-19(16)21-20(24)22-12-8-17(9-13-22)27-18-10-14-23(15-11-18)28(2,25)26/h4-7,17-18H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyIXROHDATVQKCCY-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.69
Rot. Bonds5

About N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91906252) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91906252
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-3-16-6-4-5-7-19(16)21-20(24)22-12-8-17(9-13-22)27-18-10-14-23(15-11-18)28(2,25)26/h4-7,17-18H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyIXROHDATVQKCCY-UHFFFAOYSA-N
XLogP2.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91906252) is N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is IXROHDATVQKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-16-6-4-5-7-19(16)21-20(24)22-12-8-17(9-13-22)27-18-10-14-23(15-11-18)28(2,25)26/h4-7,17-18H,3,8-15H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91906252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).