piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone

C15H27N3O3S — CID 4606390

IUPACpiperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCCC2)CC1)N1CCCCC1
InChIInChI=1S/C15H27N3O3S/c19-15(16-8-2-1-3-9-16)14-6-12-18(13-7-14)22(20,21)17-10-4-5-11-17/h14H,1-13H2
InChIKeyWLZOQMWGQNIEMO-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.05
Rot. Bonds3

About piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone

piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 4606390) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
PubChem CID4606390
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Namepiperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCCC2)CC1)N1CCCCC1
InChIInChI=1S/C15H27N3O3S/c19-15(16-8-2-1-3-9-16)14-6-12-18(13-7-14)22(20,21)17-10-4-5-11-17/h14H,1-13H2
InChIKeyWLZOQMWGQNIEMO-UHFFFAOYSA-N
XLogP1.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone (CID 4606390) is piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)N2CCCC2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is WLZOQMWGQNIEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c19-15(16-8-2-1-3-9-16)14-6-12-18(13-7-14)22(20,21)17-10-4-5-11-17/h14H,1-13H2.
What are the key properties of piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 4606390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).