N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C16H23N3O4S — CID 3239378

IUPACN-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O4S/c20-16(18-11-14-3-2-10-23-14)13-5-8-19(9-6-13)24(21,22)15-4-1-7-17-12-15/h1,4,7,12-14H,2-3,5-6,8-11H2,(H,18,20)
InChIKeyVPYYMILRJLISON-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.78
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3239378) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID3239378
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O4S/c20-16(18-11-14-3-2-10-23-14)13-5-8-19(9-6-13)24(21,22)15-4-1-7-17-12-15/h1,4,7,12-14H,2-3,5-6,8-11H2,(H,18,20)
InChIKeyVPYYMILRJLISON-UHFFFAOYSA-N
XLogP0.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 3239378) is N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VPYYMILRJLISON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-16(18-11-14-3-2-10-23-14)13-5-8-19(9-6-13)24(21,22)15-4-1-7-17-12-15/h1,4,7,12-14H,2-3,5-6,8-11H2,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3239378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).