N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H23FN2O2S — CID 34152158

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H23FN2O2S/c1-14(15-5-7-17(21)8-6-15)22(2)19(24)16-9-11-23(12-10-16)20(25)18-4-3-13-26-18/h3-8,13-14,16H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyLFCDBCOFTSPDAQ-AWEZNQCLSA-N
MW374.48 g/mol
LogP3.96
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 34152158) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID34152158
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H23FN2O2S/c1-14(15-5-7-17(21)8-6-15)22(2)19(24)16-9-11-23(12-10-16)20(25)18-4-3-13-26-18/h3-8,13-14,16H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyLFCDBCOFTSPDAQ-AWEZNQCLSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46591771
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51951497
1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 55623180
N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697870
N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55406950

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 34152158) is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LFCDBCOFTSPDAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-14(15-5-7-17(21)8-6-15)22(2)19(24)16-9-11-23(12-10-16)20(25)18-4-3-13-26-18/h3-8,13-14,16H,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 34152158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).