(4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone

C18H33N3O3S — CID 5323310

IUPAC(4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C18H33N3O3S/c1-15-3-9-19(10-4-15)18(22)17-7-13-21(14-8-17)25(23,24)20-11-5-16(2)6-12-20/h15-17H,3-14H2,1-2H3
InChIKeyUDCVQOZDLCBWOJ-UHFFFAOYSA-N
MW371.55 g/mol
LogP1.93
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone (PubChem CID 5323310) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone
PubChem CID5323310
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name(4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C18H33N3O3S/c1-15-3-9-19(10-4-15)18(22)17-7-13-21(14-8-17)25(23,24)20-11-5-16(2)6-12-20/h15-17H,3-14H2,1-2H3
InChIKeyUDCVQOZDLCBWOJ-UHFFFAOYSA-N
XLogP1.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3243323
4-(Piperidine-1-carbonyl)-1-(piperidine-1-sulfonyl)piperidine
CID 3564554
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3236692
4-(Piperidine-1-carbonyl)-1-(pyrrolidine-1-sulfonyl)piperidine
CID 4606390
(1-Methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
CID 774898
N,N-bis(2-methylpropyl)-4-(piperidine-1-carbonyl)piperidine-1-sulfonamide
CID 5323320
1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
N,N-dimethyl-4-(piperidin-1-ylcarbonyl)piperidine-1-sulfonamide
CID 17647718
(4-Methylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1082613
N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 3308620
N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide
CID 3499603
(1-Piperidin-1-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 3639358

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone (CID 5323310) is (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is UDCVQOZDLCBWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-15-3-9-19(10-4-15)18(22)17-7-13-21(14-8-17)25(23,24)20-11-5-16(2)6-12-20/h15-17H,3-14H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 371.55 g/mol, XLogP of 1.93, 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-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 5323310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).