(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone

C18H25ClN2O4S — CID 75476059

IUPAC(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone
SMILESCOC1CCN(S(=O)(=O)C2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-25-16-7-10-21(11-8-16)26(23,24)17-6-3-9-20(13-17)18(22)14-4-2-5-15(19)12-14/h2,4-5,12,16-17H,3,6-11,13H2,1H3
InChIKeyLZTFZQOUUVGRAZ-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.39
Rot. Bonds4

About (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone

(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone (PubChem CID 75476059) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone
PubChem CID75476059
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone
SMILESCOC1CCN(S(=O)(=O)C2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-25-16-7-10-21(11-8-16)26(23,24)17-6-3-9-20(13-17)18(22)14-4-2-5-15(19)12-14/h2,4-5,12,16-17H,3,6-11,13H2,1H3
InChIKeyLZTFZQOUUVGRAZ-UHFFFAOYSA-N
XLogP2.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
CID 75476075
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
CID 97348630
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone (CID 75476059) is (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone is COC1CCN(S(=O)(=O)C2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1.
What is the InChIKey of (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is LZTFZQOUUVGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-25-16-7-10-21(11-8-16)26(23,24)17-6-3-9-20(13-17)18(22)14-4-2-5-15(19)12-14/h2,4-5,12,16-17H,3,6-11,13H2,1H3.
What are the key properties of (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone?
(3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 400.93 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-(4-methoxypiperidin-1-yl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 75476059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).