N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C20H25FN4OS — CID 91814099

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H25FN4OS/c21-16-13-23-19(24-14-16)25-9-5-15(6-10-25)12-22-18(26)20(7-1-2-8-20)17-4-3-11-27-17/h3-4,11,13-15H,1-2,5-10,12H2,(H,22,26)
InChIKeyQTEFVSRPQUTXTM-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.52
Rot. Bonds5

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 91814099) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID91814099
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H25FN4OS/c21-16-13-23-19(24-14-16)25-9-5-15(6-10-25)12-22-18(26)20(7-1-2-8-20)17-4-3-11-27-17/h3-4,11,13-15H,1-2,5-10,12H2,(H,22,26)
InChIKeyQTEFVSRPQUTXTM-UHFFFAOYSA-N
XLogP3.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide with MolForge

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Related Compounds

6-(4-Fluorophenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233428
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 646908
1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 3223406
N-(4-fluorophenyl)-4-[1-(2-thienylacetyl)piperidin-3-yl]pyrimidin-2-amine
CID 53140036
1-(3-{2-[(3-Fluorophenyl)amino]pyrimidin-4-YL}piperidin-1-YL)-2-(thiophen-2-YL)ethan-1-one
CID 53140068
N-(3-fluorophenyl)-4-[1-(2-thienylcarbonyl)piperidin-3-yl]pyrimidin-2-amine
CID 53140091
{3-[2-(4-Fluoroanilino)-4-pyrimidinyl]piperidino}(2-thienyl)methanone
CID 53140057
N-(2-Fluorophenyl)-4-[1-(thiophene-2-carbonyl)piperidin-3-YL]pyrimidin-2-amine
CID 53140118
N-[3-[[5-cyclopropyl-2-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 71463177
3-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 71936578
N-(2-methyl-3-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 72116371
1-[2-[Methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-2-thiophen-2-ylethanone
CID 110139253

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 91814099) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC1CCN(c2ncc(F)cn2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is QTEFVSRPQUTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c21-16-13-23-19(24-14-16)25-9-5-15(6-10-25)12-22-18(26)20(7-1-2-8-20)17-4-3-11-27-17/h3-4,11,13-15H,1-2,5-10,12H2,(H,22,26).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 91814099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).