N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide

C21H25FN2O2S — CID 52513790

IUPACN-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)C1
InChIInChI=1S/C21H25FN2O2S/c1-2-6-20(25)23-13-15-7-5-12-24(14-15)21(26)19-11-10-18(27-19)16-8-3-4-9-17(16)22/h3-4,8-11,15H,2,5-7,12-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyJLOKYGOXODLOQZ-OAHLLOKOSA-N
MW388.51 g/mol
LogP4.32
Rot. Bonds6

About N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide (PubChem CID 52513790) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide
PubChem CID52513790
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC NameN-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)C1
InChIInChI=1S/C21H25FN2O2S/c1-2-6-20(25)23-13-15-7-5-12-24(14-15)21(26)19-11-10-18(27-19)16-8-3-4-9-17(16)22/h3-4,8-11,15H,2,5-7,12-14H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyJLOKYGOXODLOQZ-OAHLLOKOSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N,N-diethyl-2-[4-[5-(2-fluorophenyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55830153
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide (CID 52513790) is N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)C1.
What is the InChIKey of N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is JLOKYGOXODLOQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-2-6-20(25)23-13-15-7-5-12-24(14-15)21(26)19-11-10-18(27-19)16-8-3-4-9-17(16)22/h3-4,8-11,15H,2,5-7,12-14H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 388.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 52513790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).