1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C16H24N4O4S — CID 3240216

IUPAC1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N4O4S/c21-16(18-13-14-2-1-5-17-12-14)15-3-6-19(7-4-15)25(22,23)20-8-10-24-11-9-20/h1-2,5,12,15H,3-4,6-11,13H2,(H,18,21)
InChIKeyVVKPXHNSONRVJG-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.01
Rot. Bonds5

About 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3240216) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3240216
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N4O4S/c21-16(18-13-14-2-1-5-17-12-14)15-3-6-19(7-4-15)25(22,23)20-8-10-24-11-9-20/h1-2,5,12,15H,3-4,6-11,13H2,(H,18,21)
InChIKeyVVKPXHNSONRVJG-UHFFFAOYSA-N
XLogP-0.01
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3240216) is 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VVKPXHNSONRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c21-16(18-13-14-2-1-5-17-12-14)15-3-6-19(7-4-15)25(22,23)20-8-10-24-11-9-20/h1-2,5,12,15H,3-4,6-11,13H2,(H,18,21).
What are the key properties of 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3240216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).