1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H26N2O4S — CID 651955

IUPAC1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O4S/c21-18(19-13-17-7-4-12-24-17)16-8-10-20(11-9-16)25(22,23)14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,19,21)
InChIKeyUXXPESRWIFWLKD-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.52
Rot. Bonds6

About 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 651955) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID651955
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O4S/c21-18(19-13-17-7-4-12-24-17)16-8-10-20(11-9-16)25(22,23)14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,19,21)
InChIKeyUXXPESRWIFWLKD-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 651955) is 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UXXPESRWIFWLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-18(19-13-17-7-4-12-24-17)16-8-10-20(11-9-16)25(22,23)14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,19,21).
What are the key properties of 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).