(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone

C20H28N2O3S — CID 86985291

IUPAC(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(C)=O)cc3)CC2)C1
InChIInChI=1S/C20H28N2O3S/c1-15-4-3-11-22(14-15)20(24)17-9-12-21(13-10-17)19(23)16-5-7-18(8-6-16)26(2)25/h5-8,15,17H,3-4,9-14H2,1-2H3
InChIKeyDFSHKWAQFJAQPR-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.53
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone (PubChem CID 86985291) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone
PubChem CID86985291
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(C)=O)cc3)CC2)C1
InChIInChI=1S/C20H28N2O3S/c1-15-4-3-11-22(14-15)20(24)17-9-12-21(13-10-17)19(23)16-5-7-18(8-6-16)26(2)25/h5-8,15,17H,3-4,9-14H2,1-2H3
InChIKeyDFSHKWAQFJAQPR-UHFFFAOYSA-N
XLogP2.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
CID 134796273
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55662274
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55841866
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
2-[2-ethoxy-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 55662113
[1-[3-fluoro-4-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 126784138

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone (CID 86985291) is (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone is CC1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(C)=O)cc3)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is DFSHKWAQFJAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-15-4-3-11-22(14-15)20(24)17-9-12-21(13-10-17)19(23)16-5-7-18(8-6-16)26(2)25/h5-8,15,17H,3-4,9-14H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 376.52 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 86985291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).