1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide

C16H23N3O5S — CID 982331

IUPAC1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-18(25(22,23)14-5-3-13(24-2)4-6-14)11-15(20)19-9-7-12(8-10-19)16(17)21/h3-6,12H,7-11H2,1-2H3,(H2,17,21)
InChIKeyYQOFZWDSOXVCFV-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.04
Rot. Bonds6

About 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide

1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide (PubChem CID 982331) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
PubChem CID982331
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H23N3O5S/c1-18(25(22,23)14-5-3-13(24-2)4-6-14)11-15(20)19-9-7-12(8-10-19)16(17)21/h3-6,12H,7-11H2,1-2H3,(H2,17,21)
InChIKeyYQOFZWDSOXVCFV-UHFFFAOYSA-N
XLogP0.04
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide (CID 982331) is 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is YQOFZWDSOXVCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-18(25(22,23)14-5-3-13(24-2)4-6-14)11-15(20)19-9-7-12(8-10-19)16(17)21/h3-6,12H,7-11H2,1-2H3,(H2,17,21).
What are the key properties of 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide?
1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 982331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).