(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

C19H28N2O3S — CID 631597

IUPAC(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-3-5-13-20(15)19(22)17-9-11-18(12-10-17)25(23,24)21-14-6-4-8-16(21)2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyHEKYJIPQPSTVKE-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.26
Rot. Bonds3

About (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 631597) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID631597
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-3-5-13-20(15)19(22)17-9-11-18(12-10-17)25(23,24)21-14-6-4-8-16(21)2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyHEKYJIPQPSTVKE-UHFFFAOYSA-N
XLogP3.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
[2-(methylaminomethyl)pyrrolidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119651900
(4-aminopiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119376603
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655242

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 631597) is (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is HEKYJIPQPSTVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-7-3-5-13-20(15)19(22)17-9-11-18(12-10-17)25(23,24)21-14-6-4-8-16(21)2/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 364.51 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 631597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).