N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide

C24H27FN4O3S — CID 42438176

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCCc3ccccc3F)CC2)nc2cc(S(C)(=O)=O)ccc12
InChIInChI=1S/C24H27FN4O3S/c1-16-20-8-7-19(33(2,31)32)15-22(20)28-24(27-16)29-13-10-18(11-14-29)23(30)26-12-9-17-5-3-4-6-21(17)25/h3-8,15,18H,9-14H2,1-2H3,(H,26,30)
InChIKeyBAMBYWLPQOHMCQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 42438176) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
PubChem CID42438176
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCCc3ccccc3F)CC2)nc2cc(S(C)(=O)=O)ccc12
InChIInChI=1S/C24H27FN4O3S/c1-16-20-8-7-19(33(2,31)32)15-22(20)28-24(27-16)29-13-10-18(11-14-29)23(30)26-12-9-17-5-3-4-6-21(17)25/h3-8,15,18H,9-14H2,1-2H3,(H,26,30)
InChIKeyBAMBYWLPQOHMCQ-UHFFFAOYSA-N
XLogP3.06
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42452627
N-[(5-fluoro-2-methylphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42169453
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45171020
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(4-methylquinazolin-2-yl)-N-(2-naphthalen-2-ylethyl)piperidine-4-carboxamide
CID 26275494
N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45179400
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(2-naphthalen-2-ylethyl)piperidin-4-amine
CID 42455266
N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45170878
N-[2-(2-fluorophenyl)ethyl]-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxamide
CID 55782419
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651
N-methyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 42322211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide (CID 42438176) is N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NCCc3ccccc3F)CC2)nc2cc(S(C)(=O)=O)ccc12.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is BAMBYWLPQOHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-16-20-8-7-19(33(2,31)32)15-22(20)28-24(27-16)29-13-10-18(11-14-29)23(30)26-12-9-17-5-3-4-6-21(17)25/h3-8,15,18H,9-14H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42438176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).