N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C21H26FN3O2S — CID 17499690

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C21H26FN3O2S/c1-24(2)18(19-4-3-13-28-19)14-23-20(26)15-9-11-25(12-10-15)21(27)16-5-7-17(22)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyUVAAEBLVSTTZSL-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17499690) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17499690
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C21H26FN3O2S/c1-24(2)18(19-4-3-13-28-19)14-23-20(26)15-9-11-25(12-10-15)21(27)16-5-7-17(22)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyUVAAEBLVSTTZSL-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 51952463
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 55770108
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
1-(1,3-benzoxazol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 17482911

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 17499690) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CN(C)C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is UVAAEBLVSTTZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-24(2)18(19-4-3-13-28-19)14-23-20(26)15-9-11-25(12-10-15)21(27)16-5-7-17(22)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17499690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).