N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C23H29FN2O2S — CID 55904545

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccs1
InChIInChI=1S/C23H29FN2O2S/c1-3-16(4-2)21(20-8-6-14-29-20)25-22(27)18-7-5-13-26(15-18)23(28)17-9-11-19(24)12-10-17/h6,8-12,14,16,18,21H,3-5,7,13,15H2,1-2H3,(H,25,27)
InChIKeyCEFXYTPSPWTRQX-UHFFFAOYSA-N
MW416.56 g/mol
LogP5.03
Rot. Bonds7

About N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 55904545) has the molecular formula C23H29FN2O2S and a molecular weight of 416.56 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID55904545
Molecular FormulaC23H29FN2O2S
Molecular Weight416.56 g/mol
Exact Mass416.19
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccs1
InChIInChI=1S/C23H29FN2O2S/c1-3-16(4-2)21(20-8-6-14-29-20)25-22(27)18-7-5-13-26(15-18)23(28)17-9-11-19(24)12-10-17/h6,8-12,14,16,18,21H,3-5,7,13,15H2,1-2H3,(H,25,27)
InChIKeyCEFXYTPSPWTRQX-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 31109673
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
CID 51941096
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-(2-ethyl-1-thiophen-2-ylbutyl)piperidine-3-carboxamide
CID 119300996
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 55904545) is N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CCC(CC)C(NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is CEFXYTPSPWTRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2S/c1-3-16(4-2)21(20-8-6-14-29-20)25-22(27)18-7-5-13-26(15-18)23(28)17-9-11-19(24)12-10-17/h6,8-12,14,16,18,21H,3-5,7,13,15H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 416.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55904545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).