N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide

C20H24ClFN4O2S — CID 112841545

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN4O2S/c1-25(12-17-6-7-18(21)29-17)19(27)13-26-10-8-16(9-11-26)24-20(28)23-15-4-2-14(22)3-5-15/h2-7,16H,8-13H2,1H3,(H2,23,24,28)
InChIKeyGKPWOYBAMRHRIS-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.79
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 112841545) has the molecular formula C20H24ClFN4O2S and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID112841545
Molecular FormulaC20H24ClFN4O2S
Molecular Weight438.96 g/mol
Exact Mass438.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24ClFN4O2S/c1-25(12-17-6-7-18(21)29-17)19(27)13-26-10-8-16(9-11-26)24-20(28)23-15-4-2-14(22)3-5-15/h2-7,16H,8-13H2,1H3,(H2,23,24,28)
InChIKeyGKPWOYBAMRHRIS-UHFFFAOYSA-N
XLogP3.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide (CID 112841545) is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is GKPWOYBAMRHRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O2S/c1-25(12-17-6-7-18(21)29-17)19(27)13-26-10-8-16(9-11-26)24-20(28)23-15-4-2-14(22)3-5-15/h2-7,16H,8-13H2,1H3,(H2,23,24,28).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 438.96 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 112841545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).