1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C18H34N4O4S — CID 3415217

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O4S/c1-16-2-7-21(8-3-16)27(24,25)22-9-4-17(5-10-22)18(23)19-6-11-20-12-14-26-15-13-20/h16-17H,2-15H2,1H3,(H,19,23)
InChIKeyAIFSOZBKJJHBQM-UHFFFAOYSA-N
MW402.56 g/mol
LogP0.12
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 3415217) has the molecular formula C18H34N4O4S and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID3415217
Molecular FormulaC18H34N4O4S
Molecular Weight402.56 g/mol
Exact Mass402.23
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O4S/c1-16-2-7-21(8-3-16)27(24,25)22-9-4-17(5-10-22)18(23)19-6-11-20-12-14-26-15-13-20/h16-17H,2-15H2,1H3,(H,19,23)
InChIKeyAIFSOZBKJJHBQM-UHFFFAOYSA-N
XLogP0.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 3415217) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is AIFSOZBKJJHBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4S/c1-16-2-7-21(8-3-16)27(24,25)22-9-4-17(5-10-22)18(23)19-6-11-20-12-14-26-15-13-20/h16-17H,2-15H2,1H3,(H,19,23).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3415217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).