1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C18H20FN3O2S — CID 154623847

IUPAC1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NN1CCCC(C(=O)NCc2cccs2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2S/c19-15-7-5-13(6-8-15)18(24)21-22-9-1-3-14(12-22)17(23)20-11-16-4-2-10-25-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,23)(H,21,24)
InChIKeySZQRAWXNSVRSLE-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.56
Rot. Bonds5

About 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 154623847) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID154623847
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NN1CCCC(C(=O)NCc2cccs2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2S/c19-15-7-5-13(6-8-15)18(24)21-22-9-1-3-14(12-22)17(23)20-11-16-4-2-10-25-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,23)(H,21,24)
InChIKeySZQRAWXNSVRSLE-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20907105
(2R)-1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468558
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 142577841
(3R)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 97044232
1-(1-ethylbenzimidazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46959589

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 154623847) is 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NN1CCCC(C(=O)NCc2cccs2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SZQRAWXNSVRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-15-7-5-13(6-8-15)18(24)21-22-9-1-3-14(12-22)17(23)20-11-16-4-2-10-25-16/h2,4-8,10,14H,1,3,9,11-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 154623847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).