1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide

C18H28N2O5S — CID 110335435

IUPAC1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C18H28N2O5S/c1-24-13-14-26(22,23)20-11-8-16(9-12-20)18(21)19-10-7-15-5-3-4-6-17(15)25-2/h3-6,16H,7-14H2,1-2H3,(H,19,21)
InChIKeyNHHHSDHBHYBQSW-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.04
Rot. Bonds9

About 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 110335435) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID110335435
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C18H28N2O5S/c1-24-13-14-26(22,23)20-11-8-16(9-12-20)18(21)19-10-7-15-5-3-4-6-17(15)25-2/h3-6,16H,7-14H2,1-2H3,(H,19,21)
InChIKeyNHHHSDHBHYBQSW-UHFFFAOYSA-N
XLogP1.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 26777901
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335401
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71701662
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 110335435) is 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide is COCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is NHHHSDHBHYBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-24-13-14-26(22,23)20-11-8-16(9-12-20)18(21)19-10-7-15-5-3-4-6-17(15)25-2/h3-6,16H,7-14H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110335435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).