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

C20H31N3O5S — CID 91916489

IUPACN-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H31N3O5S/c1-3-27-19-7-5-4-6-18(19)21-20(24)22-12-8-16(9-13-22)28-17-10-14-23(15-11-17)29(2,25)26/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyINLHJTBGCJQEJX-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.52
Rot. Bonds6

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

N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91916489) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91916489
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC NameN-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C20H31N3O5S/c1-3-27-19-7-5-4-6-18(19)21-20(24)22-12-8-16(9-13-22)28-17-10-14-23(15-11-17)29(2,25)26/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyINLHJTBGCJQEJX-UHFFFAOYSA-N
XLogP2.52
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906267
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129417822
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
N-(2-ethoxyphenyl)-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90632987

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91916489) is N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(OC2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is INLHJTBGCJQEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-3-27-19-7-5-4-6-18(19)21-20(24)22-12-8-16(9-13-22)28-17-10-14-23(15-11-17)29(2,25)26/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91916489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).