N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C20H31N3O4S — CID 91906265

IUPACN-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)c1
InChIInChI=1S/C20H31N3O4S/c1-3-16-5-4-6-17(15-16)21-20(24)22-11-7-18(8-12-22)27-19-9-13-23(14-10-19)28(2,25)26/h4-6,15,18-19H,3,7-14H2,1-2H3,(H,21,24)
InChIKeyDWIUXXJHDAUGMU-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.69
Rot. Bonds5

About N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91906265) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91906265
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)c1
InChIInChI=1S/C20H31N3O4S/c1-3-16-5-4-6-17(15-16)21-20(24)22-11-7-18(8-12-22)27-19-9-13-23(14-10-19)28(2,25)26/h4-6,15,18-19H,3,7-14H2,1-2H3,(H,21,24)
InChIKeyDWIUXXJHDAUGMU-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-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91906265) is N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is CCc1cccc(NC(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is DWIUXXJHDAUGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-16-5-4-6-17(15-16)21-20(24)22-11-7-18(8-12-22)27-19-9-13-23(14-10-19)28(2,25)26/h4-6,15,18-19H,3,7-14H2,1-2H3,(H,21,24).
What are the key properties of N-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-(3-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-(3-ethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91906265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).