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

C16H29N3O3S — CID 3564554

IUPACpiperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCCCC2)CC1)N1CCCCC1
InChIInChI=1S/C16H29N3O3S/c20-16(17-9-3-1-4-10-17)15-7-13-19(14-8-15)23(21,22)18-11-5-2-6-12-18/h15H,1-14H2
InChIKeyDAHJDBUTNKDBAG-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.44
Rot. Bonds3

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

piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 3564554) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
PubChem CID3564554
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Namepiperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCCCC2)CC1)N1CCCCC1
InChIInChI=1S/C16H29N3O3S/c20-16(17-9-3-1-4-10-17)15-7-13-19(14-8-15)23(21,22)18-11-5-2-6-12-18/h15H,1-14H2
InChIKeyDAHJDBUTNKDBAG-UHFFFAOYSA-N
XLogP1.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
azepan-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]methanone
CID 110335461
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
CID 62588341
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
CID 52908095
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 142545227

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone (CID 3564554) is piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)N2CCCCC2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DAHJDBUTNKDBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c20-16(17-9-3-1-4-10-17)15-7-13-19(14-8-15)23(21,22)18-11-5-2-6-12-18/h15H,1-14H2.
What are the key properties of piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone?
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 343.49 g/mol, XLogP of 1.44, 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-piperidin-1-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 3564554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).