1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

C18H28N2O5S — CID 110335932

IUPAC1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H28N2O5S/c1-14(2)25-17-8-6-16(7-9-17)19-18(21)15-5-4-10-20(13-15)26(22,23)12-11-24-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyUXMJCELGGUJROH-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.10
Rot. Bonds8

About 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 110335932) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID110335932
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H28N2O5S/c1-14(2)25-17-8-6-16(7-9-17)19-18(21)15-5-4-10-20(13-15)26(22,23)12-11-24-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyUXMJCELGGUJROH-UHFFFAOYSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 133168255
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335934
1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43908136
N-(4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916521
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 110335932) is 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is COCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is UXMJCELGGUJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-14(2)25-17-8-6-16(7-9-17)19-18(21)15-5-4-10-20(13-15)26(22,23)12-11-24-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21).
What are the key properties of 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 110335932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).