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

C16H29N3O3S — CID 3690578

IUPAC(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C16H29N3O3S/c1-14-4-10-17(11-5-14)16(20)15-6-12-19(13-7-15)23(21,22)18-8-2-3-9-18/h14-15H,2-13H2,1H3
InChIKeyIKAMYYCARRONHL-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.30
Rot. Bonds3

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

(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 3690578) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
PubChem CID3690578
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C16H29N3O3S/c1-14-4-10-17(11-5-14)16(20)15-6-12-19(13-7-15)23(21,22)18-8-2-3-9-18/h14-15H,2-13H2,1H3
InChIKeyIKAMYYCARRONHL-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55950973
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
CID 46276241

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone (CID 3690578) is (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is IKAMYYCARRONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-14-4-10-17(11-5-14)16(20)15-6-12-19(13-7-15)23(21,22)18-8-2-3-9-18/h14-15H,2-13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone?
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 343.49 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 3690578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).