3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide

C20H29ClF3N3O2 — CID 25372511

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)CCNC(=O)c1ccc(OC2CCN(CCCC(F)(F)F)CC2)c(Cl)c1
InChIInChI=1S/C20H29ClF3N3O2/c1-26(2)13-9-25-19(28)15-4-5-18(17(21)14-15)29-16-6-11-27(12-7-16)10-3-8-20(22,23)24/h4-5,14,16H,3,6-13H2,1-2H3,(H,25,28)
InChIKeyMIBGVRUDQARNOO-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.82
Rot. Bonds9

About 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide

3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide (PubChem CID 25372511) has the molecular formula C20H29ClF3N3O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide
PubChem CID25372511
Molecular FormulaC20H29ClF3N3O2
Molecular Weight435.92 g/mol
Exact Mass435.19
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)CCNC(=O)c1ccc(OC2CCN(CCCC(F)(F)F)CC2)c(Cl)c1
InChIInChI=1S/C20H29ClF3N3O2/c1-26(2)13-9-25-19(28)15-4-5-18(17(21)14-15)29-16-6-11-27(12-7-16)10-3-8-20(22,23)24/h4-5,14,16H,3,6-13H2,1-2H3,(H,25,28)
InChIKeyMIBGVRUDQARNOO-UHFFFAOYSA-N
XLogP3.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]oxybenzamide
CID 72881505
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3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(2-methylbutanoyl)piperidin-4-yl]oxybenzamide
CID 45219247
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxybenzamide
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3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3,3-dimethylcyclohexyl)piperidin-4-yl]oxybenzamide
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3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(thiolan-3-yl)piperidin-4-yl]oxybenzamide
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3-chloro-4-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]oxy-N-[2-(dimethylamino)ethyl]benzamide
CID 42557992
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25365647
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(spiro[2.3]hexane-2-carbonyl)piperidin-4-yl]oxybenzamide
CID 45189249
4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide
CID 72914427
3-chloro-N-[2-(diethylamino)ethyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide (CID 25372511) is 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide is CN(C)CCNC(=O)c1ccc(OC2CCN(CCCC(F)(F)F)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide?
The InChIKey is MIBGVRUDQARNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClF3N3O2/c1-26(2)13-9-25-19(28)15-4-5-18(17(21)14-15)29-16-6-11-27(12-7-16)10-3-8-20(22,23)24/h4-5,14,16H,3,6-13H2,1-2H3,(H,25,28).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide?
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide has a molecular weight of 435.92 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25372511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).