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

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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).