1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide

C23H30N4O3S — CID 4877575

IUPAC1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28)
InChIKeyARRKLZLOSBNCGW-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.43
Rot. Bonds6

About 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide

1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 4877575) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide
PubChem CID4877575
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28)
InChIKeyARRKLZLOSBNCGW-UHFFFAOYSA-N
XLogP2.43
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide (CID 4877575) is 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1.
What is the InChIKey of 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ARRKLZLOSBNCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28).
What are the key properties of 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide?
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 4877575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).