3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

C19H25ClN4O4S — CID 42518079

IUPAC3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)n[nH]1
InChIInChI=1S/C19H25ClN4O4S/c1-13-10-15(22-21-13)12-23(2)19(25)14-4-5-18(17(20)11-14)28-16-6-8-24(9-7-16)29(3,26)27/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,21,22)
InChIKeyPIGODLLOYXQUPK-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.45
Rot. Bonds6

About 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (PubChem CID 42518079) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
PubChem CID42518079
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC Name3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)n[nH]1
InChIInChI=1S/C19H25ClN4O4S/c1-13-10-15(22-21-13)12-23(2)19(25)14-4-5-18(17(20)11-14)28-16-6-8-24(9-7-16)29(3,26)27/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,21,22)
InChIKeyPIGODLLOYXQUPK-UHFFFAOYSA-N
XLogP2.45
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 72870356
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 45214837
N-benzyl-3-chloro-N-ethyl-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 26331767
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45231622
3-chloro-N-[2-(diethylamino)ethyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42462227
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
CID 92621933
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-(1,2-oxazolidin-2-yl)methanone
CID 42240695
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 42094721
3-chloro-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72930889
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methanone
CID 45181445
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
4-(2,4-dichlorophenoxy)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72549322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (CID 42518079) is 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The InChIKey is PIGODLLOYXQUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4S/c1-13-10-15(22-21-13)12-23(2)19(25)14-4-5-18(17(20)11-14)28-16-6-8-24(9-7-16)29(3,26)27/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide has a molecular weight of 440.95 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 42518079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).