N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C15H27N3O4S — CID 3239962

IUPACN-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O4S/c19-15(16-12-14-4-3-11-22-14)13-5-9-18(10-6-13)23(20,21)17-7-1-2-8-17/h13-14H,1-12H2,(H,16,19)
InChIKeyOPIIOIXOWHYLDF-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.33
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3239962) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3239962
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC NameN-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H27N3O4S/c19-15(16-12-14-4-3-11-22-14)13-5-9-18(10-6-13)23(20,21)17-7-1-2-8-17/h13-14H,1-12H2,(H,16,19)
InChIKeyOPIIOIXOWHYLDF-UHFFFAOYSA-N
XLogP0.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3239962) is N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OPIIOIXOWHYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c19-15(16-12-14-4-3-11-22-14)13-5-9-18(10-6-13)23(20,21)17-7-1-2-8-17/h13-14H,1-12H2,(H,16,19).
What are the key properties of N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3239962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).