N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C22H21FN2O2S2 — CID 42947169

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H21FN2O2S2/c23-17-9-7-15(8-10-17)20(18-5-2-12-28-18)24-21(26)16-4-1-11-25(14-16)22(27)19-6-3-13-29-19/h2-3,5-10,12-13,16,20H,1,4,11,14H2,(H,24,26)
InChIKeyGFJIDAOXRPCOOE-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.71
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42947169) has the molecular formula C22H21FN2O2S2 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42947169
Molecular FormulaC22H21FN2O2S2
Molecular Weight428.55 g/mol
Exact Mass428.10
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H21FN2O2S2/c23-17-9-7-15(8-10-17)20(18-5-2-12-28-18)24-21(26)16-4-1-11-25(14-16)22(27)19-6-3-13-29-19/h2-3,5-10,12-13,16,20H,1,4,11,14H2,(H,24,26)
InChIKeyGFJIDAOXRPCOOE-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55804121
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987080
N-(2-ethyl-1-thiophen-2-ylbutyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55904545
N-[1-(4-cyanophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134035121
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42947169) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(NC(c1ccc(F)cc1)c1cccs1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is GFJIDAOXRPCOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S2/c23-17-9-7-15(8-10-17)20(18-5-2-12-28-18)24-21(26)16-4-1-11-25(14-16)22(27)19-6-3-13-29-19/h2-3,5-10,12-13,16,20H,1,4,11,14H2,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42947169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).